8-[2-[(Z)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-hexadecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-[(Z)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-hexadecyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-[(Z)-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(Z)-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-7-hexadecyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(Z)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(Z)-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-cetyl-3-methyl-xanthine Formula: C29H43BrN6O3 MolecularWeight: 603.59412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43BrN6O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36-25-26(35(2)29(39)33-27(25)38)32-28(36)34-31-21-22-20-23(30)17-18-24(22)37/h17-18,20-21,31H,3-16,19H2,1-2H3,(H,32,34)(H,33,38,39)/b22-21-