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

Systemtic Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-(1-methylpropylidene)hydrazino]purine-2,6-dione CAS Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-[(N'E)-N'-(1-methylpropylidene)hydrazino]xanthine Formula: C18H21ClN6O2 MolecularWeight: 388.85134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN6O2/c1-5-11(2)21-22-17-20-15-14(16(26)24(4)18(27)23(15)3)25(17)10-12-8-6-7-9-13(12)19/h6-9H,5,10H2,1-4H3,(H,20,22)/b21-11+