2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[4-(ethylamino)-2-quinazolinyl]thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[4-(ethylamino)quinazolin-2-yl]thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H20N5OS+ MolecularWeight: 378.4707

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC3=CC(=O)[N+]4=CC=CC(=C4N3)C

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC3=CC(=O)[N+]4=CC=CC(=C4N3)C

InChI

InChI=1S/C20H19N5OS/c1-3-21-18-15-8-4-5-9-16(15)23-20(24-18)27-12-14-11-17(26)25-10-6-7-13(2)19(25)22-14/h4-11H,3,12H2,1-2H3,(H,21,23,24)/p+1