2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H18N5OS+ MolecularWeight: 328.41202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NN=C(N3C)C4CC4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NN=C(N3C)C4CC4

InChI

InChI=1S/C16H17N5OS/c1-10-4-3-7-21-13(22)8-12(17-14(10)21)9-23-16-19-18-15(20(16)2)11-5-6-11/h3-4,7-8,11H,5-6,9H2,1-2H3/p+1