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

Systemtic Name: 2-[6-ethyl-3-(3-methylbutyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: 2-(6-ethyl-3-isopentyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[[6-ethyl-3-(3-methylbutyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(6-ethyl-3-isoamyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC(C)C)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC(C)C)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S2/c1-4-14-11-15-19(31-14)23-21(24(20(15)27)10-9-13(2)3)30-12-18(26)22-16-7-5-6-8-17(16)25(28)29/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,22,26)