4-[2-[(2-methylphenyl)amino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one

Systemtic Name: 4-[2-[(2-methylphenyl)amino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one Openeye Name: 4-[2-(2-methylanilino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one CAS Name: 4-[2-(2-methylanilino)-4-pyrimidinyl]-3-phenyl-2-piperazinone IUPAC Name: 4-[2-(2-methylanilino)pyrimidin-4-yl]-3-phenylpiperazin-2-one Traditional Name: 4-[2-(o-toluidino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=CC(=N2)N3CCNC(=O)C3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=CC(=N2)N3CCNC(=O)C3C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O/c1-15-7-5-6-10-17(15)24-21-23-12-11-18(25-21)26-14-13-22-20(27)19(26)16-8-3-2-4-9-16/h2-12,19H,13-14H2,1H3,(H,22,27)(H,23,24,25)