2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-])SC(=C2C)C

InChI

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