2-cyclopropyl-4-methyl-6-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 2-cyclopropyl-4-methyl-6-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 2-cyclopropyl-4-methyl-6-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 2-cyclopropyl-4-methyl-6-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-cyclopropyl-4-methyl-6-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 2-cyclopropyl-4-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-methyl-pyrimidine-5-carbonitrile Formula: C19H18N5OS+ MolecularWeight: 364.44412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=NC(=C3C#N)C)C4CC4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=NC(=C3C#N)C)C4CC4

InChI

InChI=1S/C19H17N5OS/c1-11-3-6-16-22-14(7-17(25)24(16)9-11)10-26-19-15(8-20)12(2)21-18(23-19)13-4-5-13/h3,6-7,9,13H,4-5,10H2,1-2H3/p+1