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

Systemtic Name: 5-chloranyl-2-methoxy-4-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 5-chloro-4-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxy-4-[[5-methyl-6-[2-methylpropoxy(oxo)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 5-chloro-2-methoxy-4-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 5-chloro-4-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxy-benzoate Formula: C20H19ClN3O5S- MolecularWeight: 448.89996

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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)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C(=C3)OC)C(=O)[O-])Cl)C(=O)OCC(C)C

InChI

InChI=1S/C20H20ClN3O5S/c1-9(2)7-29-20(27)16-10(3)15-17(22-8-23-18(15)30-16)24-13-6-14(28-4)11(19(25)26)5-12(13)21/h5-6,8-9H,7H2,1-4H3,(H,25,26)(H,22,23,24)/p-1