2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H21N2O3S+ MolecularWeight: 393.47874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C22H20N2O3S/c1-13-4-5-20-23-17(9-21(25)24(20)10-13)12-28-11-16-8-22(26)27-19-7-15(3)14(2)6-18(16)19/h4-10H,11-12H2,1-3H3/p+1