2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NNC(=N3)N

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NNC(=N3)N

InChI

InChI=1S/C12H12N6OS/c1-7-3-2-4-9-14-8(5-10(19)18(7)9)6-20-12-15-11(13)16-17-12/h2-5H,6H2,1H3,(H3,13,15,16,17)