4-(azepan-1-yl)-3-[[3,4-bis(phenylmethoxy)phenyl]methyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[[3,4-bis(phenylmethoxy)phenyl]methyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[(3,4-dibenzyloxyphenyl)methyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[[3,4-bis(phenylmethoxy)phenyl]methyl]-N-(3-pyrrolidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[[3,4-bis(phenylmethoxy)phenyl]methyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-(3,4-dibenzoxybenzyl)-4H-pyrimidin-2-yl]-pyrrolidin-3-yl-amine Formula: C35H43N5O2 MolecularWeight: 565.74822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2C=CN=C(N2CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC6CCNC6

Isomeric SMILES

C1CCCN(CC1)C2C=CN=C(N2CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC6CCNC6

InChI

InChI=1S/C35H43N5O2/c1-2-10-22-39(21-9-1)34-18-20-37-35(38-31-17-19-36-24-31)40(34)25-30-15-16-32(41-26-28-11-5-3-6-12-28)33(23-30)42-27-29-13-7-4-8-14-29/h3-8,11-16,18,20,23,31,34,36H,1-2,9-10,17,19,21-22,24-27H2,(H,37,38)