(phenylmethyl) 5-methyl-4-[(2-methyl-1-oxidanyl-propan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-4-[(2-methyl-1-oxidanyl-propan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC(C)(C)CO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC(C)(C)CO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c1-12-14-16(22-19(2,3)10-23)20-11-21-17(14)26-15(12)18(24)25-9-13-7-5-4-6-8-13/h4-8,11,23H,9-10H2,1-3H3,(H,20,21,22)