4-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]phenyl]piperazin-2-one

Systemtic Name: 4-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]phenyl]piperazin-2-one Openeye Name: 4-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]phenyl]piperazin-2-one CAS Name: 4-[4-[[(2,6-dimethyl-4-pyrimidinyl)amino]methyl]phenyl]-2-piperazinone IUPAC Name: 4-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]phenyl]piperazin-2-one Traditional Name: 4-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]phenyl]piperazin-2-one Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)NCC2=CC=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=NC(=N1)C)NCC2=CC=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C17H21N5O/c1-12-9-16(21-13(2)20-12)19-10-14-3-5-15(6-4-14)22-8-7-18-17(23)11-22/h3-6,9H,7-8,10-11H2,1-2H3,(H,18,23)(H,19,20,21)