2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]hexanamide

Systemtic Name: 2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]hexanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-(4-ethyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanyl-hexanamide CAS Name: 2-[(4-ethyl-1-methyl-6-oxo-2-pyrimidinyl)thio]-N-[1-(phenylmethyl)-4-piperidinyl]hexanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylhexanamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[(4-ethyl-6-keto-1-methyl-pyrimidin-2-yl)thio]hexanamide Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)SC3=NC(=CC(=O)N3C)CC

Isomeric SMILES

CCCCC(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)SC3=NC(=CC(=O)N3C)CC

InChI

InChI=1S/C25H36N4O2S/c1-4-6-12-22(32-25-27-20(5-2)17-23(30)28(25)3)24(31)26-21-13-15-29(16-14-21)18-19-10-8-7-9-11-19/h7-11,17,21-22H,4-6,12-16,18H2,1-3H3,(H,26,31)