1-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]butan-1-one Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=CC(=N2)NC3=CC=C(C=C3)C)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=CC(=N2)NC3=CC=C(C=C3)C)C

InChI

InChI=1S/C20H27N5O/c1-4-5-19(26)24-10-12-25(13-11-24)20-21-16(3)14-18(23-20)22-17-8-6-15(2)7-9-17/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,22,23)