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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(p-tolylmethyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-[(4-methylphenyl)methyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(4-methylbenzyl)thieno[3,2-d]pyrimidin-4-one Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H18N4OS2/c1-14-6-8-15(9-7-14)12-26-21(27)20-18(10-11-28-20)25-22(26)29-13-19-23-16-4-2-3-5-17(16)24-19/h2-11H,12-13H2,1H3,(H,23,24)