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

Systemtic Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propanamide Openeye Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-propanamide CAS Name: (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-thieno[2,3-d]pyrimidinylthio)propanamide IUPAC Name: (2R)-N-(2-methoxy-4-nitrophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide Traditional Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)propionamide Formula: C16H14N4O4S2 MolecularWeight: 390.43676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=NC=NC3=C2C=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C16H14N4O4S2/c1-9(26-16-11-5-6-25-15(11)17-8-18-16)14(21)19-12-4-3-10(20(22)23)7-13(12)24-2/h3-9H,1-2H3,(H,19,21)/t9-/m1/s1