2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C14H15N6OS+ MolecularWeight: 315.3735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6OS/c1-8-3-2-4-20-12(21)5-9(17-13(8)20)7-22-14-18-10(15)6-11(16)19-14/h2-6H,7H2,1H3,(H4,15,16,18,19)/p+1