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

Systemtic Name: 5-chloranyl-2-methoxy-4-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[5-methyl-6-[oxo(phenethyloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[(5-methyl-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 5-chloro-2-methoxy-4-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C24H20ClN3O5S MolecularWeight: 497.9507

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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)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C(=C3)OC)C(=O)O)Cl)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H20ClN3O5S/c1-13-19-21(28-17-11-18(32-2)15(23(29)30)10-16(17)25)26-12-27-22(19)34-20(13)24(31)33-9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,29,30)(H,26,27,28)