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

Systemtic Name: phenethyl 5-methyl-4-(3-oxidanylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(3-hydroxypropylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-hydroxypropylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-hydroxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-hydroxypropylamino)-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)NCCCO)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-13-15-17(20-9-5-10-23)21-12-22-18(15)26-16(13)19(24)25-11-8-14-6-3-2-4-7-14/h2-4,6-7,12,23H,5,8-11H2,1H3,(H,20,21,22)