7-bromanyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C14H13BrN5OS2+ MolecularWeight: 411.31992

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C14H12BrN5OS2/c1-2-5-16-13-18-19-14(23-13)22-8-10-6-12(21)20-7-9(15)3-4-11(20)17-10/h2-4,6-7H,1,5,8H2,(H,16,18)/p+1