5-(4-methylphenyl)-2-[(phenylmethylsulfanyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-[(phenylmethylsulfanyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(benzylsulfanylmethyl)-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[(phenylmethylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(benzylsulfanylmethyl)-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(benzylthio)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2OS2 MolecularWeight: 378.51042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H18N2OS2/c1-14-7-9-16(10-8-14)17-12-26-21-19(17)20(24)22-18(23-21)13-25-11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,22,23,24)