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

Systemtic Name: (phenylmethyl) 5-methyl-4-[[(2R)-1-oxidanylbutan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-[[(1R)-1-(hydroxymethyl)propyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[[(1R)-1-methylolpropyl]amino]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:

CCC(CO)NC1=C2C(=C(SC2=NC=N1)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC[C@H](CO)NC1=C2C(=C(SC2=NC=N1)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N3O3S/c1-3-14(9-23)22-17-15-12(2)16(26-18(15)21-11-20-17)19(24)25-10-13-7-5-4-6-8-13/h4-8,11,14,23H,3,9-10H2,1-2H3,(H,20,21,22)/t14-/m1/s1