2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)N5CCOCC5

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)N5CCOCC5

InChI

InChI=1S/C21H22N6O2S2/c1-2-27-20(26-8-10-29-11-9-26)24-25-21(27)31-13-16-22-18(28)17-15(12-30-19(17)23-16)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,22,23,28)