N-(cyanomethyl)-2-[6-ethyl-3-(3-methoxypropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[6-ethyl-3-(3-methoxypropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[6-ethyl-3-(3-methoxypropyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[6-ethyl-3-(3-methoxypropyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[6-ethyl-3-(3-methoxypropyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[6-ethyl-4-keto-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-phenyl-acetamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S2/c1-3-17-14-18-20(31-17)24-22(26(21(18)28)11-7-13-29-2)30-15-19(27)25(12-10-23)16-8-5-4-6-9-16/h4-6,8-9,14H,3,7,11-13,15H2,1-2H3