3-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]thiazolidine-4-carboxylic acid CAS Name: 3-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]thiazolidine-4-carboxylic acid Formula: C14H12ClN5O4S MolecularWeight: 381.79418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CS1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1C(N(CS1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C14H12ClN5O4S/c15-8-1-3-9(4-2-8)17-14-16-5-10(20(23)24)12(18-14)19-7-25-6-11(19)13(21)22/h1-5,11H,6-7H2,(H,21,22)(H,16,17,18)