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

Systemtic Name: 3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(2-oxo-3-indolyl)hydrazo]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-8-[N'-(2-ketoindol-3-yl)hydrazino]-3-methyl-xanthine Formula: C21H17N7O3 MolecularWeight: 415.40478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C21H17N7O3/c1-27-17-16(19(30)24-21(27)31)28(11-12-7-3-2-4-8-12)20(23-17)26-25-15-13-9-5-6-10-14(13)22-18(15)29/h2-10H,11H2,1H3,(H,23,26)(H,22,25,29)(H,24,30,31)