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

Systemtic Name: 5-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoate Openeye Name: 5-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoate CAS Name: 5-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoate Traditional Name: 5-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoate Formula: C21H20N3O5S- MolecularWeight: 426.4656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-11-16-18(24-12-7-8-15(25)14(9-12)20(26)27)22-10-23-19(16)30-17(11)21(28)29-13-5-3-2-4-6-13/h7-10,13,25H,2-6H2,1H3,(H,26,27)(H,22,23,24)/p-1