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

Systemtic Name: 7-dodecyl-3-methyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-dodecyl-3-methyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]purine-2,6-dione IUPAC Name: 7-dodecyl-3-methyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]-7-lauryl-3-methyl-xanthine Formula: C26H38N6O3 MolecularWeight: 482.61832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1NNC(=C3C=CC(=O)C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H38N6O3/c1-4-5-6-7-8-9-10-11-12-13-18-32-22-23(31(3)26(35)28-24(22)34)27-25(32)30-29-19(2)20-14-16-21(33)17-15-20/h14-17,29H,4-13,18H2,1-3H3,(H,27,30)(H,28,34,35)