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

Systemtic Name: 2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-chloranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-chloro-5-nitro-phenyl)acetamide CAS Name: 2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(2-chloro-5-nitrophenyl)acetamide IUPAC Name: 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-chloro-5-nitrophenyl)acetamide Traditional Name: 2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-chloro-5-nitro-phenyl)acetamide Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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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-])Cl)SC(=C2C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4S2/c1-4-5-8-24-19(27)17-11(2)12(3)31-18(17)23-20(24)30-10-16(26)22-15-9-13(25(28)29)6-7-14(15)21/h6-7,9H,4-5,8,10H2,1-3H3,(H,22,26)