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

Systemtic Name: 4-methyl-3-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[5-methyl-6-[2-methylpropoxy(oxo)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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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)OCC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

InChI

InChI=1S/C20H21N3O4S/c1-10(2)8-27-20(26)16-12(4)15-17(21-9-22-18(15)28-16)23-14-7-13(19(24)25)6-5-11(14)3/h5-7,9-10H,8H2,1-4H3,(H,24,25)(H,21,22,23)