8-[2-(5-bromanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)hydrazinyl]-7-dodecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-(5-bromanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)hydrazinyl]-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-1-methyl-2-oxo-indolin-3-ylidene)hydrazino]-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-[2-(5-bromo-1-methyl-2-oxo-3-indolylidene)hydrazinyl]-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)hydrazinyl]-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-1-methyl-indolin-3-ylidene)hydrazino]-7-lauryl-3-methyl-xanthine Formula: C27H36BrN7O3 MolecularWeight: 586.52384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NN=C3C4=C(C=CC(=C4)Br)N(C3=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1NN=C3C4=C(C=CC(=C4)Br)N(C3=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C27H36BrN7O3/c1-4-5-6-7-8-9-10-11-12-13-16-35-22-23(34(3)27(38)30-24(22)36)29-26(35)32-31-21-19-17-18(28)14-15-20(19)33(2)25(21)37/h14-15,17H,4-13,16H2,1-3H3,(H,29,32)(H,30,36,38)