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

Systemtic Name: (4-butoxyphenyl)-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]methanone Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=CC(=N3)NC4=CC=C(C=C4)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=CC(=N3)NC4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H33N5O2/c1-4-5-18-34-24-12-8-22(9-13-24)26(33)31-14-16-32(17-15-31)27-28-21(3)19-25(30-27)29-23-10-6-20(2)7-11-23/h6-13,19H,4-5,14-18H2,1-3H3,(H,28,29,30)