7-butyl-3-methyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-butyl-8-[N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]-3-methyl-xanthine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H22N6O3/c1-4-5-10-24-14-15(23(3)18(27)20-16(14)26)19-17(24)22-21-11(2)12-6-8-13(25)9-7-12/h6-9,21H,4-5,10H2,1-3H3,(H,19,22)(H,20,26,27)