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

Systemtic Name: 1,3-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2-oxo-3-indolyl)hydrazo]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-8-[N'-(2-ketoindol-3-yl)hydrazino]-1,3-dimethyl-xanthine Formula: C22H19N7O3 MolecularWeight: 429.43136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C22H19N7O3/c1-27-18-17(20(31)28(2)22(27)32)29(12-13-8-4-3-5-9-13)21(24-18)26-25-16-14-10-6-7-11-15(14)23-19(16)30/h3-11H,12H2,1-2H3,(H,24,26)(H,23,25,30)