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

Systemtic Name: 7-heptyl-3-methyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-heptyl-3-methyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-heptyl-8-[N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]-3-methyl-xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H28N6O3/c1-4-5-6-7-8-13-27-17-18(26(3)21(30)23-19(17)29)22-20(27)25-24-14(2)15-9-11-16(28)12-10-15/h9-12,24H,4-8,13H2,1-3H3,(H,22,25)(H,23,29,30)