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

Systemtic Name: phenethyl 5-methyl-4-[[(2S)-2-oxidanylpropyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC(C)O)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC[C@H](C)O)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c1-12(23)10-20-17-15-13(2)16(26-18(15)22-11-21-17)19(24)25-9-8-14-6-4-3-5-7-14/h3-7,11-12,23H,8-10H2,1-2H3,(H,20,21,22)/t12-/m0/s1