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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C14H15N6OS+ MolecularWeight: 315.3735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NN=NN3C4CC4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C14H14N6OS/c1-9-3-2-6-19-12(21)7-10(15-13(9)19)8-22-14-16-17-18-20(14)11-4-5-11/h2-3,6-7,11H,4-5,8H2,1H3/p+1