N2-[3-(1H-indol-3-yl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(1H-indol-3-yl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(1H-indol-3-yl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(1H-indol-3-yl)phenyl]-N4-[3-(1-piperazinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(1H-indol-3-yl)phenyl]-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(1H-indol-3-yl)anilino]pyrimidin-4-yl]-(3-piperazinopropyl)amine Formula: C25H29N7 MolecularWeight: 427.54466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H29N7/c1-2-8-23-21(7-1)22(18-29-23)19-5-3-6-20(17-19)30-25-28-11-9-24(31-25)27-10-4-14-32-15-12-26-13-16-32/h1-3,5-9,11,17-18,26,29H,4,10,12-16H2,(H2,27,28,30,31)