ethyl 1-[3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-[[[4-(diethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C27H38N4O3S MolecularWeight: 498.68062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=CC(=C2)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=CC(=C2)C(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C27H38N4O3S/c1-6-30(7-2)24-16-23(19(4)5)28-27(29-24)35-18-20-11-9-12-21(15-20)25(32)31-14-10-13-22(17-31)26(33)34-8-3/h9,11-12,15-16,19,22H,6-8,10,13-14,17-18H2,1-5H3