N,N-diethyl-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-diethyl-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: N,N-diethyl-2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N,N-diethyl-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N,N-diethyl-acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1CC=C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1CC=C

InChI

InChI=1S/C22H25N3O2S2/c1-5-12-25-21(27)19-17(16-10-8-15(4)9-11-16)13-28-20(19)23-22(25)29-14-18(26)24(6-2)7-3/h5,8-11,13H,1,6-7,12,14H2,2-4H3