2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C22H18N4OS2/c1-12-7-9-14(10-8-12)18-13(2)29-21-19(18)20(27)25-17(26-21)11-28-22-23-15-5-3-4-6-16(15)24-22/h3-10H,11H2,1-2H3,(H,23,24)(H,25,26,27)