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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-[(4-methoxyphenyl)methyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-p-anisyl-thieno[3,2-d]pyrimidin-4-one Formula: C22H18N4O2S2 MolecularWeight: 434.53392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H18N4O2S2/c1-28-15-8-6-14(7-9-15)12-26-21(27)20-18(10-11-29-20)25-22(26)30-13-19-23-16-4-2-3-5-17(16)24-19/h2-11H,12-13H2,1H3,(H,23,24)