2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-7-bromanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-7-bromanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C13H11BrN5O2S+ MolecularWeight: 381.22774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[N+](C=C1Br)C(=O)C=C(N2)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC2=[N+](C=C1Br)C(=O)C=C(N2)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C13H10BrN5O2S/c14-7-1-2-10-16-8(3-12(21)19(10)5-7)6-22-13-17-9(15)4-11(20)18-13/h1-5H,6H2,(H3,15,17,18,20)/p+1