5-(4-chloranylphenoxy)-4-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-amine

Systemtic Name: 5-(4-chloranylphenoxy)-4-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-amine Openeye Name: 4-(4-benzylpiperazin-1-yl)-5-(4-chlorophenoxy)pyrimidin-2-amine CAS Name: 5-(4-chlorophenoxy)-4-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinamine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-5-(4-chlorophenoxy)pyrimidin-2-amine Traditional Name: [4-(4-benzylpiperazino)-5-(4-chlorophenoxy)pyrimidin-2-yl]amine Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC=C3OC4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC=C3OC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C21H22ClN5O/c22-17-6-8-18(9-7-17)28-19-14-24-21(23)25-20(19)27-12-10-26(11-13-27)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H2,23,24,25)