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

Systemtic Name: 6-ethanoyl-5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(=CC3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(=CC3)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C21H21N3O2S/c1-13-18-20(26)22-17(23-21(18)27-19(13)14(2)25)12-24-10-8-16(9-11-24)15-6-4-3-5-7-15/h3-8H,9-12H2,1-2H3,(H,22,23,26)/p+1