7-[(4-indol-1-ylcarbonylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-indol-1-ylcarbonylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-(indole-1-carbonyl)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-[1-indolyl(oxo)methyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[4-(indole-1-carbonyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(indole-1-carbonyl)benzyl]-1,3-dimethyl-xanthine Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)N4C=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)N4C=CC5=CC=CC=C54

InChI

InChI=1S/C23H19N5O3/c1-25-20-19(22(30)26(2)23(25)31)27(14-24-20)13-15-7-9-17(10-8-15)21(29)28-12-11-16-5-3-4-6-18(16)28/h3-12,14H,13H2,1-2H3