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

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-3-methyl-7-phenethyl-xanthine Formula: C21H19BrN6O2 MolecularWeight: 467.31856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)Br)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)Br)CCC4=CC=CC=C4

InChI

InChI=1S/C21H19BrN6O2/c1-27-18-17(19(29)25-21(27)30)28(12-11-14-5-3-2-4-6-14)20(24-18)26-23-13-15-7-9-16(22)10-8-15/h2-10,13H,11-12H2,1H3,(H,24,26)(H,25,29,30)/b23-13+