2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H17N4OS2+ MolecularWeight: 417.52658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C22H16N4OS2/c1-14-23-21(17-12-18(29-22(17)24-14)15-7-3-2-4-8-15)28-13-16-11-20(27)26-10-6-5-9-19(26)25-16/h2-12H,13H2,1H3/p+1