4-[6-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]hexoxy]phenol

Systemtic Name: 4-[6-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]hexoxy]phenol Openeye Name: 4-[6-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]hexoxy]phenol CAS Name: 4-[6-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]hexoxy]phenol IUPAC Name: 4-[6-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]hexoxy]phenol Traditional Name: 4-[6-[4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazino]hexoxy]phenol Formula: C28H42N6O2 MolecularWeight: 494.67208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)CCCCCCOC5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)CCCCCCOC5=CC=C(C=C5)O

InChI

InChI=1S/C28H42N6O2/c35-24-9-11-25(12-10-24)36-22-8-2-1-3-13-31-18-20-33(21-19-31)27-23-26(32-14-4-5-15-32)29-28(30-27)34-16-6-7-17-34/h9-12,23,35H,1-8,13-22H2