5-(4-chloranylphenoxy)-2,4-bis(4-ethylpiperazin-1-yl)pyrimidine dihydrochloride

Systemtic Name: 5-(4-chloranylphenoxy)-2,4-bis(4-ethylpiperazin-1-yl)pyrimidine dihydrochloride Openeye Name: 5-(4-chlorophenoxy)-2,4-bis(4-ethylpiperazin-1-yl)pyrimidine dihydrochloride CAS Name: 5-(4-chlorophenoxy)-2,4-bis(4-ethyl-1-piperazinyl)pyrimidine dihydrochloride IUPAC Name: 5-(4-chlorophenoxy)-2,4-bis(4-ethylpiperazin-1-yl)pyrimidine dihydrochloride Traditional Name: 5-(4-chlorophenoxy)-2,4-bis(4-ethylpiperazino)pyrimidine dihydrochloride Formula: C22H33Cl3N6O MolecularWeight: 503.89602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N4CCN(CC4)CC.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N4CCN(CC4)CC.Cl.Cl

InChI

InChI=1S/C22H31ClN6O.2ClH/c1-3-26-9-13-28(14-10-26)21-20(30-19-7-5-18(23)6-8-19)17-24-22(25-21)29-15-11-27(4-2)12-16-29;;/h5-8,17H,3-4,9-16H2,1-2H3;2*1H