N-(2,3-dimethyl-6-nitro-phenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-propanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-propanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-propanamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(4-thieno[3,2-d]pyrimidinylthio)propanamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(thieno[3,2-d]pyrimidin-4-ylthio)propionamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC=NC3=C2SC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC=NC3=C2SC=C3)C

InChI

InChI=1S/C17H16N4O3S2/c1-9-4-5-13(21(23)24)14(10(9)2)20-16(22)11(3)26-17-15-12(6-7-25-15)18-8-19-17/h4-8,11H,1-3H3,(H,20,22)