ethyl 2-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl 2-[4,6-bis(1-piperidyl)pyrimidin-2-yl]sulfanyl-2-phenyl-acetate CAS Name: 2-[[4,6-bis(1-piperidinyl)-2-pyrimidinyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]sulfanyl-2-phenylacetate Traditional Name: 2-[(4,6-dipiperidinopyrimidin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C24H32N4O2S MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=CC(=N2)N3CCCCC3)N4CCCCC4

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=CC(=N2)N3CCCCC3)N4CCCCC4

InChI

InChI=1S/C24H32N4O2S/c1-2-30-23(29)22(19-12-6-3-7-13-19)31-24-25-20(27-14-8-4-9-15-27)18-21(26-24)28-16-10-5-11-17-28/h3,6-7,12-13,18,22H,2,4-5,8-11,14-17H2,1H3