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

Systemtic Name: 3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(2-oxo-3-indolyl)hydrazo]-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 1,7-dibenzyl-8-[N'-(2-ketoindol-3-yl)hydrazino]-3-methyl-xanthine Formula: C28H23N7O3 MolecularWeight: 505.52732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NNC4=C5C=CC=CC5=NC4=O)CC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NNC4=C5C=CC=CC5=NC4=O)CC6=CC=CC=C6

InChI

InChI=1S/C28H23N7O3/c1-33-24-23(26(37)35(28(33)38)17-19-12-6-3-7-13-19)34(16-18-10-4-2-5-11-18)27(30-24)32-31-22-20-14-8-9-15-21(20)29-25(22)36/h2-15H,16-17H2,1H3,(H,30,32)(H,29,31,36)