1,1-Dimethylethyl N-[(3R)-1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]carbamate

CAS Registry Number®

668273-75-4
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CAS Name

1,1-Dimethylethyl N-[(3R)-1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]carbamate

Molecular Formula

C30H36N8O4

Molecular Mass

572.66

Cite this Page

1,1-Dimethylethyl N-[(3R)-1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]carbamate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=668273-75-4 (retrieved 2024-05-03) (CAS RN: 668273-75-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H36N8O4/c1-7-8-16-37-24-25(34-27(37)36-15-11-12-20(17-36)32-28(40)42-30(3,4)5)35(6)29(41)38(26(24)39)18-23-31-19(2)21-13-9-10-14-22(21)33-23/h9-10,13-14,20H,11-12,15-18H2,1-6H3,(H,32,40)/t20-/m1/s1

InChIKey

InChIKey=PQEIZFATTRGTNW-HXUWFJFHSA-N

SMILES

C(C#CC)N1C2=C(N=C1N3C[C@H](NC(OC(C)(C)C)=O)CCC3)N(C)C(=O)N(CC4=NC5=C(C(C)=N4)C=CC=C5)C2=O

Canonical SMILES

O=C(OC(C)(C)C)NC1CN(C2=NC3=C(C(=O)N(C(=O)N3C)CC4=NC=5C=CC=CC5C(=N4)C)N2CC#CC)CCC1

Other Names for this Substance

  • Carbamic acid, N-[(3R)-1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [(3R)-1-[7-(2-butynyl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[(3R)-1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]carbamate

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