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

Systemtic Name: 4-(3,5-dimethylphenoxy)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-5-amine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine CAS Name: 4-(3,5-dimethylphenoxy)-6-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinamine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine Traditional Name: [4-(4-benzylpiperazino)-6-(3,5-dimethylphenoxy)pyrimidin-5-yl]amine Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H27N5O/c1-17-12-18(2)14-20(13-17)29-23-21(24)22(25-16-26-23)28-10-8-27(9-11-28)15-19-6-4-3-5-7-19/h3-7,12-14,16H,8-11,15,24H2,1-2H3