N,N-diethyl-2-[4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide

Systemtic Name: N,N-diethyl-2-[4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide Openeye Name: N,N-diethyl-2-[4-(3-hydroxyphenyl)-1-(2-thienylmethyl)-4-piperidyl]pyrimidine-5-carboxamide CAS Name: N,N-diethyl-2-[4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-4-piperidinyl]-5-pyrimidinecarboxamide IUPAC Name: N,N-diethyl-2-[4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide Traditional Name: N,N-diethyl-2-[4-(3-hydroxyphenyl)-1-(2-thenyl)-4-piperidyl]pyrimidine-5-carboxamide Formula: C25H30N4O2S MolecularWeight: 450.5963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN=C(N=C1)C2(CCN(CC2)CC3=CC=CS3)C4=CC(=CC=C4)O

Isomeric SMILES

CCN(CC)C(=O)C1=CN=C(N=C1)C2(CCN(CC2)CC3=CC=CS3)C4=CC(=CC=C4)O

InChI

InChI=1S/C25H30N4O2S/c1-3-29(4-2)23(31)19-16-26-24(27-17-19)25(20-7-5-8-21(30)15-20)10-12-28(13-11-25)18-22-9-6-14-32-22/h5-9,14-17,30H,3-4,10-13,18H2,1-2H3