4-(azepan-1-yl)-N-[2-[4-(diethylamino)phenyl]ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[2-[4-(diethylamino)phenyl]ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-[4-(diethylamino)phenyl]ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-[4-(diethylamino)phenyl]ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-[4-(diethylamino)phenyl]ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-[4-(diethylamino)phenyl]ethyl]-pyrrolidin-2-yl-amine Formula: C26H40N6 MolecularWeight: 436.636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C26H40N6/c1-3-30(4-2)23-13-11-22(12-14-23)16-21-32(24-10-9-17-27-24)26-28-18-15-25(29-26)31-19-7-5-6-8-20-31/h11-15,18,24,27H,3-10,16-17,19-21H2,1-2H3