5-(4-chloranylphenoxy)-4-(2-phenylpiperazin-1-yl)pyrimidin-2-amine

Systemtic Name: 5-(4-chloranylphenoxy)-4-(2-phenylpiperazin-1-yl)pyrimidin-2-amine Openeye Name: 5-(4-chlorophenoxy)-4-(2-phenylpiperazin-1-yl)pyrimidin-2-amine CAS Name: 5-(4-chlorophenoxy)-4-(2-phenyl-1-piperazinyl)-2-pyrimidinamine IUPAC Name: 5-(4-chlorophenoxy)-4-(2-phenylpiperazin-1-yl)pyrimidin-2-amine Traditional Name: [5-(4-chlorophenoxy)-4-(2-phenylpiperazino)pyrimidin-2-yl]amine Formula: C20H20ClN5O MolecularWeight: 381.8587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=CC=CC=C2)C3=NC(=NC=C3OC4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1CN(C(CN1)C2=CC=CC=C2)C3=NC(=NC=C3OC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C20H20ClN5O/c21-15-6-8-16(9-7-15)27-18-13-24-20(22)25-19(18)26-11-10-23-12-17(26)14-4-2-1-3-5-14/h1-9,13,17,23H,10-12H2,(H2,22,24,25)