2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromanyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromanyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromopyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one Formula: C11H9BrN6OS MolecularWeight: 353.19776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Br)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)CSC3=NNC(=N3)N

InChI

InChI=1S/C11H9BrN6OS/c12-6-1-2-8-14-7(3-9(19)18(8)4-6)5-20-11-15-10(13)16-17-11/h1-4H,5H2,(H3,13,15,16,17)