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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC=C(C=C1)CN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4

Isomeric SMILES

CN(C)CCCOC1=CC=C(C=C1)CN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4

InChI

InChI=1S/C27H44N6O/c1-31(2)17-8-20-34-25-12-10-23(11-13-25)22-33-26(32-18-5-3-4-6-19-32)14-16-29-27(33)30-24-9-7-15-28-21-24/h10-14,16,24,26,28H,3-9,15,17-22H2,1-2H3,(H,29,30)