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

Systemtic Name: 5-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-5-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 2-hydroxy-5-[[5-methyl-6-[2-methylpropoxy(oxo)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 2-hydroxy-5-[[5-methyl-6-(2-methylpropoxycarbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-hydroxy-5-[(6-isobutoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C19H18N3O5S- MolecularWeight: 400.42832

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-9(2)7-27-19(26)15-10(3)14-16(20-8-21-17(14)28-15)22-11-4-5-13(23)12(6-11)18(24)25/h4-6,8-9,23H,7H2,1-3H3,(H,24,25)(H,20,21,22)/p-1