ethyl 1-[4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[4-(dimethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-(dimethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C28H32N4O3S MolecularWeight: 504.64368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3S/c1-4-35-27(34)23-14-16-32(17-15-23)26(33)22-12-10-20(11-13-22)19-36-28-29-24(18-25(30-28)31(2)3)21-8-6-5-7-9-21/h5-13,18,23H,4,14-17,19H2,1-3H3