4-(azepan-1-yl)-3-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-N-piperidin-4-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-N-piperidin-4-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-N-(4-piperidyl)-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-N-(4-piperidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-N-piperidin-4-yl-4H-pyrimidin-2-amine Traditional Name: 3-[4-[[4-(azepan-1-yl)-2-(4-piperidylamino)-4H-pyrimidin-3-yl]methyl]phenoxy]propyl-dimethyl-amine Formula: C27H44N6O MolecularWeight: 468.67786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC=C(C=C1)CN2C(C=CN=C2NC3CCNCC3)N4CCCCCC4

Isomeric SMILES

CN(C)CCCOC1=CC=C(C=C1)CN2C(C=CN=C2NC3CCNCC3)N4CCCCCC4

InChI

InChI=1S/C27H44N6O/c1-31(2)18-7-21-34-25-10-8-23(9-11-25)22-33-26(32-19-5-3-4-6-20-32)14-17-29-27(33)30-24-12-15-28-16-13-24/h8-11,14,17,24,26,28H,3-7,12-13,15-16,18-22H2,1-2H3,(H,29,30)