2-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-5,6-dimethyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)C5=CC=CC=C5)C

InChI

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