5-chloranyl-2-methoxy-4-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[(6-methoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[(6-methoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(6-carbomethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-5-chloro-2-methoxy-benzoic acid Formula: C17H14ClN3O5S MolecularWeight: 407.82816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C(=C3)OC)C(=O)O)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C(=C3)OC)C(=O)O)Cl)C(=O)OC

InChI

InChI=1S/C17H14ClN3O5S/c1-7-12-14(19-6-20-15(12)27-13(7)17(24)26-3)21-10-5-11(25-2)8(16(22)23)4-9(10)18/h4-6H,1-3H3,(H,22,23)(H,19,20,21)