4-[4-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]butoxy]phenol

Systemtic Name: 4-[4-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]butoxy]phenol Openeye Name: 4-[4-[4-[2,6-bis(2-pyridyl)pyrimidin-4-yl]piperazin-1-yl]butoxy]phenol CAS Name: 4-[4-[4-[2,6-bis(2-pyridinyl)-4-pyrimidinyl]-1-piperazinyl]butoxy]phenol IUPAC Name: 4-[4-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]butoxy]phenol Traditional Name: 4-[4-[4-[2,6-bis(2-pyridyl)pyrimidin-4-yl]piperazino]butoxy]phenol Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC=C(C=C2)O)C3=NC(=NC(=C3)C4=CC=CC=N4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCCOC2=CC=C(C=C2)O)C3=NC(=NC(=C3)C4=CC=CC=N4)C5=CC=CC=N5

InChI

InChI=1S/C28H30N6O2/c35-22-9-11-23(12-10-22)36-20-6-5-15-33-16-18-34(19-17-33)27-21-26(24-7-1-3-13-29-24)31-28(32-27)25-8-2-4-14-30-25/h1-4,7-14,21,35H,5-6,15-20H2