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

Systemtic Name: 4-methyl-3-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-methyl-3-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-methyl-3-[[5-methyl-6-[oxo(phenethyloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(5-methyl-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-methyl-3-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C24H21N3O4S/c1-14-8-9-17(23(28)29)12-18(14)27-21-19-15(2)20(32-22(19)26-13-25-21)24(30)31-11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,28,29)(H,25,26,27)