N-(5-tert-butyl-2-methyl-phenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(5-tert-butyl-2-methyl-phenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(5-tert-butyl-2-methyl-phenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(5-tert-butyl-2-methylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(5-tert-butyl-2-methylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine Traditional Name: (5-tert-butyl-2-methyl-phenyl)-[2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazino]pyrimidin-4-yl]amine Formula: C28H37N5O MolecularWeight: 459.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)NC2=NC(=NC=C2)N3CCN(C(C3)(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)NC2=NC(=NC=C2)N3CCN(C(C3)(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H37N5O/c1-20-8-9-21(27(2,3)4)18-24(20)30-25-14-15-29-26(31-25)32-16-17-33(28(5,6)19-32)22-10-12-23(34-7)13-11-22/h8-15,18H,16-17,19H2,1-7H3,(H,29,30,31)