2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-phenyl-3-prop-2-enyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-phenyl-3-prop-2-enyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-phenyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-phenyl-3-prop-2-enyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-phenyl-3-prop-2-enylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-phenyl-thieno[3,2-d]pyrimidin-4-one Formula: C25H21N4O2S2+ MolecularWeight: 473.58984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=C(C(=O)N3CC=C)SC(=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=C(C(=O)N3CC=C)SC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S2/c1-3-11-28-24(31)23-19(13-20(33-23)17-7-5-4-6-8-17)27-25(28)32-15-18-12-22(30)29-14-16(2)9-10-21(29)26-18/h3-10,12-14H,1,11,15H2,2H3/p+1