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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H20N5OS+ MolecularWeight: 330.4279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NNC(=N3)C(C)(C)C

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NNC(=N3)C(C)(C)C

InChI

InChI=1S/C16H19N5OS/c1-10-6-5-7-21-12(22)8-11(17-13(10)21)9-23-15-18-14(19-20-15)16(2,3)4/h5-8H,9H2,1-4H3,(H,18,19,20)/p+1