2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)SC(=C2C)C

InChI

InChI=1S/C21H24N4O5S2/c1-5-6-9-24-20(27)18-12(2)13(3)32-19(18)23-21(24)31-11-17(26)22-15-8-7-14(25(28)29)10-16(15)30-4/h7-8,10H,5-6,9,11H2,1-4H3,(H,22,26)