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

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-3-methyl-7-octyl-xanthine Formula: C21H27BrN6O2 MolecularWeight: 475.38208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H27BrN6O2/c1-3-4-5-6-7-8-13-28-17-18(27(2)21(30)25-19(17)29)24-20(28)26-23-14-15-9-11-16(22)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H,24,26)(H,25,29,30)/b23-14+