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

Systemtic Name: 7-decyl-3-methyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-decyl-3-methyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 7-decyl-3-methyl-8-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-decyl-8-[N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]-3-methyl-xanthine Formula: C24H34N6O3 MolecularWeight: 454.56516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H34N6O3/c1-4-5-6-7-8-9-10-11-16-30-20-21(29(3)24(33)26-22(20)32)25-23(30)28-27-17(2)18-12-14-19(31)15-13-18/h12-15,27H,4-11,16H2,1-3H3,(H,25,28)(H,26,32,33)