phenethyl 5-methyl-4-[[4-(4-methylpiperidin-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-[[4-(4-methylpiperidin-1-yl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-[4-(4-methyl-1-piperidyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(4-methyl-1-piperidinyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-[4-(4-methylpiperidin-1-yl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(4-methylpiperidino)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=C(SC4=NC=N3)C(=O)OCCC5=CC=CC=C5)C

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=C(SC4=NC=N3)C(=O)OCCC5=CC=CC=C5)C

InChI

InChI=1S/C28H30N4O2S/c1-19-12-15-32(16-13-19)23-10-8-22(9-11-23)31-26-24-20(2)25(35-27(24)30-18-29-26)28(33)34-17-14-21-6-4-3-5-7-21/h3-11,18-19H,12-17H2,1-2H3,(H,29,30,31)