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

Systemtic Name: 2-chloranyl-5-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 2-chloro-5-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 2-chloro-5-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 2-chloro-5-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 2-chloro-5-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C21H19ClN3O4S- MolecularWeight: 444.91126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S/c1-11-16-18(25-12-7-8-15(22)14(9-12)20(26)27)23-10-24-19(16)30-17(11)21(28)29-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,26,27)(H,23,24,25)/p-1