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

Systemtic Name: 3-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 3-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C21H20N3O4S- MolecularWeight: 410.4662

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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)OC4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-12-16-18(24-14-7-5-6-13(10-14)20(25)26)22-11-23-19(16)29-17(12)21(27)28-15-8-3-2-4-9-15/h5-7,10-11,15H,2-4,8-9H2,1H3,(H,25,26)(H,22,23,24)/p-1