5-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[5-methyl-6-[oxo(propan-2-yloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]isophthalic acid Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6S/c1-8(2)28-19(27)14-9(3)13-15(20-7-21-16(13)29-14)22-12-5-10(17(23)24)4-11(6-12)18(25)26/h4-8H,1-3H3,(H,23,24)(H,25,26)(H,20,21,22)