2-propyl-4-[2-[(2-pyridin-2-yl-6-pyridin-3-yl-pyrimidin-4-yl)amino]ethyl]phenol

Systemtic Name: 2-propyl-4-[2-[(2-pyridin-2-yl-6-pyridin-3-yl-pyrimidin-4-yl)amino]ethyl]phenol Openeye Name: 2-propyl-4-[2-[[2-(2-pyridyl)-6-(3-pyridyl)pyrimidin-4-yl]amino]ethyl]phenol CAS Name: 2-propyl-4-[2-[[2-(2-pyridinyl)-6-(3-pyridinyl)-4-pyrimidinyl]amino]ethyl]phenol IUPAC Name: 2-propyl-4-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol Traditional Name: 2-propyl-4-[2-[[2-(2-pyridyl)-6-(3-pyridyl)pyrimidin-4-yl]amino]ethyl]phenol Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CCNC2=NC(=NC(=C2)C3=CN=CC=C3)C4=CC=CC=N4)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)CCNC2=NC(=NC(=C2)C3=CN=CC=C3)C4=CC=CC=N4)O

InChI

InChI=1S/C25H25N5O/c1-2-6-19-15-18(9-10-23(19)31)11-14-28-24-16-22(20-7-5-12-26-17-20)29-25(30-24)21-8-3-4-13-27-21/h3-5,7-10,12-13,15-17,31H,2,6,11,14H2,1H3,(H,28,29,30)