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

Systemtic Name: N2-[3-(1H-indol-3-yl)phenyl]-N4-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine Openeye Name: N2-[3-(1H-indol-3-yl)phenyl]-N4-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine CAS Name: N2-[3-(1H-indol-3-yl)phenyl]-N4-[3-(4-methyl-1-piperazinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(1H-indol-3-yl)phenyl]-4-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine Traditional Name: [2-[3-(1H-indol-3-yl)anilino]pyrimidin-4-yl]-[3-(4-methylpiperazino)propyl]amine Formula: C26H31N7 MolecularWeight: 441.57124

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CN1CCN(CC1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H31N7/c1-32-14-16-33(17-15-32)13-5-11-27-25-10-12-28-26(31-25)30-21-7-4-6-20(18-21)23-19-29-24-9-3-2-8-22(23)24/h2-4,6-10,12,18-19,29H,5,11,13-17H2,1H3,(H2,27,28,30,31)