N2-[3-(3-chlorophenyl)phenyl]-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(3-chlorophenyl)phenyl]-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(3-chlorophenyl)phenyl]-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(3-chlorophenyl)phenyl]-N4-[3-(1-pyrrolidinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(3-chlorophenyl)phenyl]-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(3-chlorophenyl)anilino]pyrimidin-4-yl]-(3-pyrrolidinopropyl)amine Formula: C23H26ClN5 MolecularWeight: 407.93904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H26ClN5/c24-20-8-3-6-18(16-20)19-7-4-9-21(17-19)27-23-26-12-10-22(28-23)25-11-5-15-29-13-1-2-14-29/h3-4,6-10,12,16-17H,1-2,5,11,13-15H2,(H2,25,26,27,28)