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

Systemtic Name: 5-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]isophthalic acid Formula: C22H21N3O6S MolecularWeight: 455.48364

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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)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H21N3O6S/c1-11-16-18(25-14-8-12(20(26)27)7-13(9-14)21(28)29)23-10-24-19(16)32-17(11)22(30)31-15-5-3-2-4-6-15/h7-10,15H,2-6H2,1H3,(H,26,27)(H,28,29)(H,23,24,25)