2-(4-methylphenyl)-5-phenyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-1-ium-4-one

Systemtic Name: 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-1-ium-4-one Openeye Name: 5-phenyl-2-(p-tolyl)-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-1-ium-4-one CAS Name: 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-1-ium-4-one IUPAC Name: 2-(4-methylphenyl)-5-phenyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-1-ium-4-one Traditional Name: 5-phenyl-2-(p-tolyl)-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-1-ium-4-one Formula: C19H17N2OS+ MolecularWeight: 321.41608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[NH+]C3C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)C2=[NH+]C3C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C19H16N2OS/c1-12-7-9-14(10-8-12)17-20-18(22)16-15(11-23-19(16)21-17)13-5-3-2-4-6-13/h2-11,16,19H,1H3,(H,20,21,22)/p+1