N-cyclopropyl-2-(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-cyclopropyl-2-(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-cyclopropyl-2-(6-ethyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-cyclopropyl-2-[(6-ethyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-cyclopropyl-2-(6-ethyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-cyclopropyl-2-[(6-ethyl-4-keto-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NC4CC4

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NC4CC4

InChI

InChI=1S/C21H23N3O2S2/c1-2-16-12-17-19(28-16)23-21(27-13-18(25)22-15-8-9-15)24(20(17)26)11-10-14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H,22,25)