ethyl 1-[5-methyl-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-methyl-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(benzylamino)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-methyl-4-[(phenylmethyl)amino]-2-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(benzylamino)-5-methylthieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(benzylamino)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]isonipecotic acid ethyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=C3C(=CSC3=N2)C)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=C3C(=CSC3=N2)C)NCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-3-28-21(27)17-9-11-26(12-10-17)22-24-19(18-15(2)14-29-20(18)25-22)23-13-16-7-5-4-6-8-16/h4-8,14,17H,3,9-13H2,1-2H3,(H,23,24,25)