2,5-dimethyl-4-[(3-nitrophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2,5-dimethyl-4-[(3-nitrophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2,5-dimethyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-(3-nitroanilino)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H11N4O4S- MolecularWeight: 343.33724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=CC=C3)[N+](=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=CC=C3)[N+](=O)[O-])C)C(=O)[O-]

InChI

InChI=1S/C15H12N4O4S/c1-7-11-13(18-9-4-3-5-10(6-9)19(22)23)16-8(2)17-14(11)24-12(7)15(20)21/h3-6H,1-2H3,(H,20,21)(H,16,17,18)/p-1