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

Systemtic Name: 5-chloranyl-4-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxybenzoic acid Traditional Name: 5-chloro-4-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxy-benzoic acid Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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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)OC4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O5S/c1-11-17-19(26-15-9-16(30-2)13(21(27)28)8-14(15)23)24-10-25-20(17)32-18(11)22(29)31-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,27,28)(H,24,25,26)