ethyl 1-[6-ethyl-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-ethyl-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(benzylamino)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[6-ethyl-4-[(phenylmethyl)amino]-2-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(benzylamino)-6-ethylthieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(benzylamino)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]isonipecotic acid ethyl ester Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)N3CCC(CC3)C(=O)OCC)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)N3CCC(CC3)C(=O)OCC)NCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-3-18-14-19-20(24-15-16-8-6-5-7-9-16)25-23(26-21(19)30-18)27-12-10-17(11-13-27)22(28)29-4-2/h5-9,14,17H,3-4,10-13,15H2,1-2H3,(H,24,25,26)