4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3,5-dimethylphenoxy)pyrimidin-5-amine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3,5-dimethylphenoxy)pyrimidin-5-amine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3,5-dimethylphenoxy)pyrimidin-5-amine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-(3,5-dimethylphenoxy)-5-pyrimidinamine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3,5-dimethylphenoxy)pyrimidin-5-amine Traditional Name: [4-[4-(3-chlorophenyl)piperazino]-6-(3,5-dimethylphenoxy)pyrimidin-5-yl]amine Formula: C22H24ClN5O MolecularWeight: 409.91186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N3CCN(CC3)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N3CCN(CC3)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C22H24ClN5O/c1-15-10-16(2)12-19(11-15)29-22-20(24)21(25-14-26-22)28-8-6-27(7-9-28)18-5-3-4-17(23)13-18/h3-5,10-14H,6-9,24H2,1-2H3