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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(4-methoxyphenyl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(4-methoxyphenyl)ethyl]-pyrrolidin-2-yl-amine Formula: C23H33N5O MolecularWeight: 395.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C23H33N5O/c1-29-20-10-8-19(9-11-20)13-18-28(21-7-6-14-24-21)23-25-15-12-22(26-23)27-16-4-2-3-5-17-27/h8-12,15,21,24H,2-7,13-14,16-18H2,1H3