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

Systemtic Name: N2-[3-(3-methoxyphenyl)phenyl]-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(3-methoxyphenyl)phenyl]-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(3-methoxyphenyl)phenyl]-N4-[3-(1-pyrrolidinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(3-methoxyphenyl)phenyl]-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(3-methoxyphenyl)anilino]pyrimidin-4-yl]-(3-pyrrolidinopropyl)amine Formula: C24H29N5O MolecularWeight: 403.51996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC=C2)NC3=NC=CC(=N3)NCCCN4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC=C2)NC3=NC=CC(=N3)NCCCN4CCCC4

InChI

InChI=1S/C24H29N5O/c1-30-22-10-5-8-20(18-22)19-7-4-9-21(17-19)27-24-26-13-11-23(28-24)25-12-6-16-29-14-2-3-15-29/h4-5,7-11,13,17-18H,2-3,6,12,14-16H2,1H3,(H2,25,26,27,28)