1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazino]-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-(2-ketoindol-3-yl)hydrazino]-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C23H21N7O3 MolecularWeight: 443.45794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NNC4=C5C=CC=CC5=NC4=O)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NNC4=C5C=CC=CC5=NC4=O)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H21N7O3/c1-13-8-10-14(11-9-13)12-30-18-19(28(2)23(33)29(3)21(18)32)25-22(30)27-26-17-15-6-4-5-7-16(15)24-20(17)31/h4-11H,12H2,1-3H3,(H,25,27)(H,24,26,31)