(4-methylpiperidin-1-yl)-[3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]methanone

Systemtic Name: (4-methylpiperidin-1-yl)-[3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]methanone Openeye Name: (4-methyl-1-piperidyl)-[3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]methanone CAS Name: (4-methyl-1-piperidinyl)-[3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]phenyl]methanone IUPAC Name: (4-methylpiperidin-1-yl)-[3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]methanone Traditional Name: (4-methylpiperidino)-[3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]phenyl]methanone Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N6O/c1-21-11-14-32(15-12-21)26(34)22-6-5-7-23(20-22)29-25-10-13-28-27(30-25)33-18-16-31(17-19-33)24-8-3-2-4-9-24/h2-10,13,20-21H,11-12,14-19H2,1H3,(H,28,29,30)