2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(4-benzofuro[3,2-d]pyrimidinylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(benzofuro[3,2-d]pyrimidin-4-ylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H13N4O2S+ MolecularWeight: 361.39712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C19H12N4O2S/c24-16-9-12(22-15-7-3-4-8-23(15)16)10-26-19-18-17(20-11-21-19)13-5-1-2-6-14(13)25-18/h1-9,11H,10H2/p+1