7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N-(1-methyl-2-phenylethyl)-γ-phenylbenzenepropanamine (1:1)

CAS Registry Number®

94088-42-3

CAS Name

7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N-(1-methyl-2-phenylethyl)-γ-phenylbenzenepropanamine (1:1)

Molecular Formula

C24H27N.C9H10N4O4

Cite this Page

7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N-(1-methyl-2-phenylethyl)-γ-phenylbenzenepropanamine (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94088-42-3 (retrieved 2024-11-22) (CAS RN: 94088-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H27N.C9H10N4O4/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h2-16,20,24-25H,17-19H2,1H3;4H,3H2,1-2H3,(H,14,15)

InChIKey

InChIKey=DYCAMVNSMCVQIV-UHFFFAOYSA-N

SMILES

C(C(O)=O)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1.C(CCNC(CC1=CC=CC=C1)C)(C2=CC=CC=C2)C3=CC=CC=C3

Canonical SMILES

O=C(O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C=1C=CC(=CC1)CC(NCCC(C=2C=CC=CC2)C=3C=CC=CC3)C

Other Names for this Substance

  • 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N-(1-methyl-2-phenylethyl)-γ-phenylbenzenepropanamine (1:1)
  • Benzenepropanamine, N-(1-methyl-2-phenylethyl)-γ-phenyl-, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
  • Acefylline prenylamine

CAS INSIGHTSTM
Targeted protein degrader structure, illustration