2-methyl-2-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 2-methyl-2-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 2-methyl-2-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid CAS Name: 2-methyl-2-[[5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]propanoic acid IUPAC Name: 2-methyl-2-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid Traditional Name: 2-methyl-2-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propionic acid Formula: C16H14N4O4S MolecularWeight: 358.37176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC1=C2C(=CSC2=NC=N1)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)O)NC1=C2C(=CSC2=NC=N1)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-16(2,15(21)22)19-13-12-11(7-25-14(12)18-8-17-13)9-4-3-5-10(6-9)20(23)24/h3-8H,1-2H3,(H,21,22)(H,17,18,19)