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

Systemtic Name: 7-bromanyl-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C13H12BrN6OS+ MolecularWeight: 380.24298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C13H11BrN6OS/c14-8-1-4-11-15-9(5-12(21)19(11)6-8)7-22-13-16-17-18-20(13)10-2-3-10/h1,4-6,10H,2-3,7H2/p+1