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

Systemtic Name: 4-(3,5-dimethylphenoxy)-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-5-amine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine CAS Name: 4-(3,5-dimethylphenoxy)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-pyrimidinamine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine Traditional Name: [4-(4-benzhydrylpiperazino)-6-(3,5-dimethylphenoxy)pyrimidin-5-yl]amine Formula: C29H31N5O MolecularWeight: 465.58934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H31N5O/c1-21-17-22(2)19-25(18-21)35-29-26(30)28(31-20-32-29)34-15-13-33(14-16-34)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-20,27H,13-16,30H2,1-2H3