8-(2-butan-2-ylidenehydrazinyl)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2-butan-2-ylidenehydrazinyl)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[2-(1-methylpropylidene)hydrazino]purine-2,6-dione CAS Name: 8-(2-butan-2-ylidenehydrazinyl)-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(2-butan-2-ylidenehydrazinyl)-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-3,7-dimethyl-8-[N'-(1-methylpropylidene)hydrazino]xanthine Formula: C18H21ClN6O2 MolecularWeight: 388.85134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC(=NNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Cl)C

InChI

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