(phenylmethyl) 5-methyl-4-(piperidin-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-4-(piperidin-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-4-(4-piperidylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-piperidinylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-(piperidin-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-piperidylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3CCNCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3CCNCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S/c1-13-16-18(24-15-7-9-21-10-8-15)22-12-23-19(16)27-17(13)20(25)26-11-14-5-3-2-4-6-14/h2-6,12,15,21H,7-11H2,1H3,(H,22,23,24)