2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-8-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=CC2=[N+](C=C1)C(=O)C=C(N2)CSC3=NN=C(N3C4CC4)C

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)CSC3=NN=C(N3C4CC4)C

InChI

InChI=1S/C16H17N5OS/c1-10-5-6-20-14(7-10)17-12(8-15(20)22)9-23-16-19-18-11(2)21(16)13-3-4-13/h5-8,13H,3-4,9H2,1-2H3/p+1