ethyl 1-[(2S)-2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C23H29ClN4O3S MolecularWeight: 477.01936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)N2CCC(CC2)C(=O)OCC)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)S[C@@H](C)C(=O)N2CCC(CC2)C(=O)OCC)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN4O3S/c1-4-18-19(15-6-8-17(24)9-7-15)20(25)27-23(26-18)32-14(3)21(29)28-12-10-16(11-13-28)22(30)31-5-2/h6-9,14,16H,4-5,10-13H2,1-3H3,(H2,25,26,27)/t14-/m0/s1