8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-(1-methylpropylidene)hydrazino]-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-[(N'E)-N'-(1-methylpropylidene)hydrazino]xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C)C

Isomeric SMILES

CC/C(=N/NC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C)/C

InChI

InChI=1S/C18H22N6O2/c1-5-12(3)21-22-17-19-15-14(16(25)20-18(26)23(15)4)24(17)10-13-8-6-11(2)7-9-13/h6-9H,5,10H2,1-4H3,(H,19,22)(H,20,25,26)/b21-12+