(4-tert-butylphenyl)-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]methanone Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H33N5O/c1-19-6-12-23(13-7-19)29-24-18-20(2)28-26(30-24)32-16-14-31(15-17-32)25(33)21-8-10-22(11-9-21)27(3,4)5/h6-13,18H,14-17H2,1-5H3,(H,28,29,30)