4-azanyl-2-[(6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(4-keto-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]pyrimidine-5-carbonitrile Formula: C15H13N6OS+ MolecularWeight: 325.36832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C15H12N6OS/c1-9-3-2-4-12-19-11(5-13(22)21(9)12)8-23-15-18-7-10(6-16)14(17)20-15/h2-5,7H,8H2,1H3,(H2,17,18,20)/p+1