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

Systemtic Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(p-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,8-trimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-homoveratryl-2,4,8-trimethyl-7-(p-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N3C4=C(N=C3N2CCC5=CC(=C(C=C5)OC)OC)N(C(=O)N(C4=O)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N3C4=C(N=C3N2CCC5=CC(=C(C=C5)OC)OC)N(C(=O)N(C4=O)C)C)C

InChI

InChI=1S/C27H29N5O4/c1-16-7-10-19(11-8-16)22-17(2)32-23-24(29(3)27(34)30(4)25(23)33)28-26(32)31(22)14-13-18-9-12-20(35-5)21(15-18)36-6/h7-12,15H,13-14H2,1-6H3