2-[5-ethyl-3-(4-methoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[5-ethyl-3-(4-methoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[5-ethyl-3-(4-methoxyphenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[5-ethyl-3-(4-methoxyphenyl)-6-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[5-ethyl-3-(4-methoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[5-ethyl-4-keto-3-(4-methoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]-N-propargyl-acetamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC#C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC#C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H21N3O3S2/c1-5-11-22-17(25)12-28-21-23-19-18(16(6-2)13(3)29-19)20(26)24(21)14-7-9-15(27-4)10-8-14/h1,7-10H,6,11-12H2,2-4H3,(H,22,25)