5-(3,4-dimethoxyphenyl)-3-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-5-(3,4-dimethoxyphenyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethoxyphenyl)-3-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-benzyl-5-(3,4-dimethoxyphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-5-(3,4-dimethoxyphenyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C21H18N2O3S2/c1-25-16-9-8-14(10-17(16)26-2)15-12-28-19-18(15)20(24)23(21(27)22-19)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,22,27)