ethyl 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H29N5O2S MolecularWeight: 379.52016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C18H29N5O2S/c1-3-25-18(24)23-9-7-22(8-10-23)16-5-4-6-21(14-16)13-15-11-19-17(26-2)20-12-15/h11-12,16H,3-10,13-14H2,1-2H3