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

Systemtic Name: 1-ethyl-3,7-dimethyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Openeye Name: 1-ethyl-3,7-dimethyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 1-ethyl-3,7-dimethyl-8-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]purine-2,6-dione IUPAC Name: 1-ethyl-3,7-dimethyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Traditional Name: 1-ethyl-8-[N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]-3,7-dimethyl-xanthine Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)NNC(=C3C=CC(=O)C=C3)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)NNC(=C3C=CC(=O)C=C3)C)N(C1=O)C

InChI

InChI=1S/C17H20N6O3/c1-5-23-15(25)13-14(22(4)17(23)26)18-16(21(13)3)20-19-10(2)11-6-8-12(24)9-7-11/h6-9,19H,5H2,1-4H3,(H,18,20)