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

Systemtic Name: 3-methyl-7-nonyl-8-[2-[1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-nonyl-8-[2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethylhydrazo]purine-2,6-dione IUPAC Name: 3-methyl-7-nonyl-8-[2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-[1-(6-ketocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazino]-3-methyl-7-nonyl-xanthine Formula: C23H32N6O3 MolecularWeight: 440.53858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1NNC(=C3C=CC=CC3=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1NNC(=C3C=CC=CC3=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H32N6O3/c1-4-5-6-7-8-9-12-15-29-19-20(28(3)23(32)25-21(19)31)24-22(29)27-26-16(2)17-13-10-11-14-18(17)30/h10-11,13-14,26H,4-9,12,15H2,1-3H3,(H,24,27)(H,25,31,32)