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

Systemtic Name: 2-methylpropyl 2,5-dimethyl-4-[[(2R)-1-oxidanylbutan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-[[(1R)-1-(hydroxymethyl)propyl]amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[(2R)-1-hydroxybutan-2-yl]amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[[(1R)-1-methylolpropyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C2C(=C(SC2=NC(=N1)C)C(=O)OCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-6-12(7-21)20-15-13-10(4)14(17(22)23-8-9(2)3)24-16(13)19-11(5)18-15/h9,12,21H,6-8H2,1-5H3,(H,18,19,20)/t12-/m1/s1