(phenylmethyl) 5-methyl-4-[[(2S)-2-oxidanylpropyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-4-[[(2S)-2-oxidanylpropyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-[[(2S)-2-hydroxypropyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2S)-2-hydroxypropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC[C@H](C)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S/c1-11(22)8-19-16-14-12(2)15(25-17(14)21-10-20-16)18(23)24-9-13-6-4-3-5-7-13/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,20,21)/t11-/m0/s1