3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4-one

CAS Registry Number®

400752-99-0

CAS Name

3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4-one

Molecular Formula

C18H18N4O4S

Molecular Mass

386.42

Cite this Page

3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=400752-99-0 (retrieved 2024-11-27) (CAS RN: 400752-99-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H18N4O4S/c1-18(2)8-12-13(9-26-18)27-16-15(12)17(23)21(19)14(20-16)7-10-3-5-11(6-4-10)22(24)25/h3-6H,7-9,19H2,1-2H3

InChIKey

InChIKey=FIMKAOLSZYXIIT-UHFFFAOYSA-N

SMILES

O=C1C=2C3=C(SC2N=C(CC4=CC=C(N(=O)=O)C=C4)N1N)COC(C)(C)C3

Canonical SMILES

O=C1C2=C(N=C(N1N)CC3=CC=C(C=C3)N(=O)=O)SC4=C2CC(OC4)(C)C

Other Names for this Substance

  • 4H-Pyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4-one, 3-amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-
  • 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4-one

CAS INSIGHTSTM
Hourglass and a clock