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

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-7-heptyl-3-methyl-xanthine Formula: C20H25BrN6O2 MolecularWeight: 461.3555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H25BrN6O2/c1-3-4-5-6-7-12-27-16-17(26(2)20(29)24-18(16)28)23-19(27)25-22-13-14-8-10-15(21)11-9-14/h8-11,13H,3-7,12H2,1-2H3,(H,23,25)(H,24,28,29)/b22-13+