7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[2-[1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[2-[1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethylhydrazo]purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-[N'-[1-(6-ketocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazino]-1,3-dimethyl-xanthine Formula: C22H21ClN6O3 MolecularWeight: 452.89354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=CC1=O)NNC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=C1C=CC=CC1=O)NNC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H21ClN6O3/c1-13(16-6-4-5-7-17(16)30)25-26-21-24-19-18(20(31)28(3)22(32)27(19)2)29(21)12-14-8-10-15(23)11-9-14/h4-11,25H,12H2,1-3H3,(H,24,26)