2-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H21ClN5OS+ MolecularWeight: 438.95304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC2=CC(=O)[N+]3=CC=CC(=C3N2)C)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC2=CC(=O)[N+]3=CC=CC(=C3N2)C)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN5OS/c1-3-17-19(14-6-8-15(23)9-7-14)20(24)27-22(26-17)30-12-16-11-18(29)28-10-4-5-13(2)21(28)25-16/h4-11H,3,12H2,1-2H3,(H2,24,26,27)/p+1