4-[(4-hydroxyphenyl)-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-3-yl]methyl]phenol

Systemtic Name: 4-[(4-hydroxyphenyl)-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-3-yl]methyl]phenol Openeye Name: 4-[(4-hydroxyphenyl)-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3-pyridyl]methyl]phenol CAS Name: 4-[(4-hydroxyphenyl)-[4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-pyridinyl]methyl]phenol IUPAC Name: 4-[(4-hydroxyphenyl)-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-3-yl]methyl]phenol Traditional Name: 4-[(4-hydroxyphenyl)-[4-[[4-(2-pyrimidyl)piperazino]methyl]-3-pyridyl]methyl]phenol Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=NC=C2)C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=C(C=NC=C2)C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)C5=NC=CC=N5

InChI

InChI=1S/C27H27N5O2/c33-23-6-2-20(3-7-23)26(21-4-8-24(34)9-5-21)25-18-28-13-10-22(25)19-31-14-16-32(17-15-31)27-29-11-1-12-30-27/h1-13,18,26,33-34H,14-17,19H2