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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H23N6OS+ MolecularWeight: 371.47982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)CSC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)CSC3=NN=C(N3N)C4CCCCC4

InChI

InChI=1S/C18H22N6OS/c1-12-7-8-23-15(9-12)20-14(10-16(23)25)11-26-18-22-21-17(24(18)19)13-5-3-2-4-6-13/h7-10,13H,2-6,11,19H2,1H3/p+1