2-[4-[5-(4-chloranylphenoxy)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[5-(4-chloranylphenoxy)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[5-(4-chlorophenoxy)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-(4-chlorophenoxy)-2-(4-ethyl-1-piperazinyl)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[5-(4-chlorophenoxy)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[5-(4-chlorophenoxy)-2-(4-ethylpiperazino)pyrimidin-4-yl]piperazino]ethanol Formula: C22H31ClN6O2 MolecularWeight: 446.97354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C(=N2)N3CCN(CC3)CCO)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C(=N2)N3CCN(CC3)CCO)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H31ClN6O2/c1-2-26-7-13-29(14-8-26)22-24-17-20(31-19-5-3-18(23)4-6-19)21(25-22)28-11-9-27(10-12-28)15-16-30/h3-6,17,30H,2,7-16H2,1H3