4-azanyl-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyrimidin-1-ium-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyrimidin-1-ium-5-carbonitrile Openeye Name: 4-amino-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyrimidin-1-ium-5-carbonitrile CAS Name: 4-amino-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-5-pyrimidin-1-iumcarbonitrile IUPAC Name: 4-amino-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyrimidin-1-ium-5-carbonitrile Traditional Name: 4-amino-2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]pyrimidin-1-ium-5-carbonitrile Formula: C14H11N6OS+ MolecularWeight: 311.34174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1)CSC3=[NH+]C=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1)CSC3=[NH+]C=C(C(=N3)N)C#N

InChI

InChI=1S/C14H10N6OS/c15-6-9-7-17-14(19-13(9)16)22-8-10-5-12(21)20-4-2-1-3-11(20)18-10/h1-5,7H,8H2,(H2,16,17,19)/p+1