6-azanyl-2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[1-(4-bromophenyl)-5-tetrazolyl]methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[1-(4-bromophenyl)tetrazol-5-yl]methylthio]-1H-pyrimidin-4-one Formula: C12H10BrN7OS MolecularWeight: 380.2231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=N2)CSC3=NC(=O)C=C(N3)N)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=N2)CSC3=NC(=O)C=C(N3)N)Br

InChI

InChI=1S/C12H10BrN7OS/c13-7-1-3-8(4-2-7)20-10(17-18-19-20)6-22-12-15-9(14)5-11(21)16-12/h1-5H,6H2,(H3,14,15,16,21)