2,4-bis(4-fluorophenyl)-6-(4-piperidin-1-ylbutoxy)pyrimidine hydrochloride

Systemtic Name: 2,4-bis(4-fluorophenyl)-6-(4-piperidin-1-ylbutoxy)pyrimidine hydrochloride Openeye Name: 2,4-bis(4-fluorophenyl)-6-[4-(1-piperidyl)butoxy]pyrimidine hydrochloride CAS Name: 2,4-bis(4-fluorophenyl)-6-[4-(1-piperidinyl)butoxy]pyrimidine hydrochloride IUPAC Name: 2,4-bis(4-fluorophenyl)-6-(4-piperidin-1-ylbutoxy)pyrimidine hydrochloride Traditional Name: 2,4-bis(4-fluorophenyl)-6-(4-piperidinobutoxy)pyrimidine hydrochloride Formula: C25H28ClF2N3O MolecularWeight: 459.959126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCOC2=NC(=NC(=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

C1CCN(CC1)CCCCOC2=NC(=NC(=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C25H27F2N3O.ClH/c26-21-10-6-19(7-11-21)23-18-24(29-25(28-23)20-8-12-22(27)13-9-20)31-17-5-4-16-30-14-2-1-3-15-30;/h6-13,18H,1-5,14-17H2;1H