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

Systemtic Name: 7-hexadecyl-3-methyl-8-[2-[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-hexadecyl-3-methyl-8-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-cetyl-8-[N'-[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-xanthine Formula: C29H44N6O3 MolecularWeight: 524.69806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1NNC=C3C=CC=CC3=O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1NN/C=C/3\C=CC=CC3=O)N(C(=O)NC2=O)C

InChI

InChI=1S/C29H44N6O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-35-25-26(34(2)29(38)32-27(25)37)31-28(35)33-30-22-23-19-16-17-20-24(23)36/h16-17,19-20,22,30H,3-15,18,21H2,1-2H3,(H,31,33)(H,32,37,38)/b23-22+