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

Systemtic Name: 2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S2/c1-5-6-9-24-20(27)18-13(3)14(4)31-19(18)23-21(24)30-11-17(26)22-16-10-15(25(28)29)8-7-12(16)2/h7-8,10H,5-6,9,11H2,1-4H3,(H,22,26)