N4-[4-[5-[2-azanyl-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-[4-[5-[2-azanyl-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]phenyl]pyrimidine-2,4-diamine Openeye Name: N4-[4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridyl]phenyl]pyrimidine-2,4-diamine CAS Name: N4-[4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-[4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridyl]phenyl]-(2-aminopyrimidin-4-yl)amine Formula: C26H25N7O MolecularWeight: 451.523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC=C(C=C4)NC5=NC(=NC=C5)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC=C(C=C4)NC5=NC(=NC=C5)N)N

InChI

InChI=1S/C26H25N7O/c27-20(11-19-14-31-24-4-2-1-3-23(19)24)16-34-22-12-18(13-29-15-22)17-5-7-21(8-6-17)32-25-9-10-30-26(28)33-25/h1-10,12-15,20,31H,11,16,27H2,(H3,28,30,32,33)