8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-hexadecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-hexadecyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-hexadecyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-7-cetyl-3-methyl-xanthine Formula: C29H43BrN6O2 MolecularWeight: 587.59472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C29H43BrN6O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-36-25-26(35(2)29(38)33-27(25)37)32-28(36)34-31-22-23-17-19-24(30)20-18-23/h17-20,22H,3-16,21H2,1-2H3,(H,32,34)(H,33,37,38)/b31-22+