1-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[2-amino-5-(4-chlorophenoxy)-4-pyrimidinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazino]-2-phenoxy-ethanone Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O3/c23-16-6-8-18(9-7-16)31-19-14-25-22(24)26-21(19)28-12-10-27(11-13-28)20(29)15-30-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H2,24,25,26)