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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-pentan-2-ylidenehydrazinyl]purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-(1-methylbutylidene)hydrazino]purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-pentan-2-ylidenehydrazinyl]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-pentan-2-ylidenehydrazinyl]purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-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(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C)C

Isomeric SMILES

CCC/C(=N/NC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C)/C

InChI

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