3-[(4-methylphenyl)methyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-benzyl-3-(p-tolylmethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-benzyl-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-benzyl-3-(4-methylbenzyl)-2-thioxo-1H-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)CN2C(=O)C3=C(NC2=S)SC(=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(NC2=S)SC(=C3)CC4=CC=CC=C4

InChI

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