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

Systemtic Name: cyclohexyl 5-methyl-4-[[(2R)-1-oxidanylbutan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C2C(=C(SC2=NC=N1)C(=O)OC3CCCCC3)C

Isomeric SMILES

CC[C@H](CO)NC1=C2C(=C(SC2=NC=N1)C(=O)OC3CCCCC3)C

InChI

InChI=1S/C18H25N3O3S/c1-3-12(9-22)21-16-14-11(2)15(25-17(14)20-10-19-16)18(23)24-13-7-5-4-6-8-13/h10,12-13,22H,3-9H2,1-2H3,(H,19,20,21)/t12-/m1/s1