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

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-butyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-7-butyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-butyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-butyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-7-butyl-3-methyl-xanthine Formula: C17H19BrN6O2 MolecularWeight: 419.27576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19BrN6O2/c1-3-4-9-24-13-14(23(2)17(26)21-15(13)25)20-16(24)22-19-10-11-5-7-12(18)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,20,22)(H,21,25,26)/b19-10+