6-[2-(3,4-diethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-[2-(3,4-diethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-[2-(3,4-diethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(p-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[2-(3,4-diethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[2-(3,4-diethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-[2-(3,4-diethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(p-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)C)C5=CC=C(C=C5)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)C)C5=CC=C(C=C5)C)OCC

InChI

InChI=1S/C29H33N5O4/c1-7-37-22-14-11-20(17-23(22)38-8-2)15-16-33-24(21-12-9-18(3)10-13-21)19(4)34-25-26(30-28(33)34)31(5)29(36)32(6)27(25)35/h9-14,17H,7-8,15-16H2,1-6H3