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

Systemtic Name: 5-methyl-3-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-3-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-3-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-methyl-3-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17N4O2S+ MolecularWeight: 401.46098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=O)[N+]4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=O)[N+]4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C22H16N4O2S/c1-14-19-21(29-20(14)15-7-3-2-4-8-15)23-13-25(22(19)28)12-16-11-18(27)26-10-6-5-9-17(26)24-16/h2-11,13H,12H2,1H3/p+1