5-ethyl-6-methyl-3-[1-(phenylmethyl)pyrazol-3-yl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-3-[1-(phenylmethyl)pyrazol-3-yl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1-benzylpyrazol-3-yl)-5-ethyl-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-3-[1-(phenylmethyl)-3-pyrazolyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-(1-benzylpyrazol-3-yl)-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(1-benzylpyrazol-3-yl)-5-ethyl-6-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=S)N2)C3=NN(C=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=S)N2)C3=NN(C=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C19H18N4OS2/c1-3-14-12(2)26-17-16(14)18(24)23(19(25)20-17)15-9-10-22(21-15)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,20,25)