2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H19N6OS+ MolecularWeight: 343.42666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NN=NN3C4CCCC4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NN=NN3C4CCCC4

InChI

InChI=1S/C16H18N6OS/c1-11-6-7-14-17-12(8-15(23)21(14)9-11)10-24-16-18-19-20-22(16)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3/p+1