1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-pentan-2-ylidenehydrazinyl]purine-2,6-dione

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-pentan-2-ylidenehydrazinyl]purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(1-methylbutylidene)hydrazino]purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-pentan-2-ylidenehydrazinyl]purine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-pentan-2-ylidenehydrazinyl]purine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-3,7-dimethyl-8-[(N'E)-N'-(1-methylbutylidene)hydrazino]xanthine Formula: C19H23ClN6O2 MolecularWeight: 402.87792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCC/C(=N/NC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl)/C

InChI

InChI=1S/C19H23ClN6O2/c1-5-8-12(2)22-23-18-21-16-15(24(18)3)17(27)26(19(28)25(16)4)11-13-9-6-7-10-14(13)20/h6-7,9-10H,5,8,11H2,1-4H3,(H,21,23)/b22-12+