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

Systemtic Name: 3-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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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)OC4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C22H23N3O4S/c1-12-8-9-14(21(26)27)10-16(12)25-19-17-13(2)18(30-20(17)24-11-23-19)22(28)29-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,26,27)(H,23,24,25)