1-[4-[[4-[methyl-(2-phenylpyrimidin-4-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[[4-[methyl-(2-phenylpyrimidin-4-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone Openeye Name: 1-[4-[[4-[methyl-(2-phenylpyrimidin-4-yl)amino]pyrimidin-2-yl]amino]-1-piperidyl]ethanone CAS Name: 1-[4-[[4-[methyl-(2-phenyl-4-pyrimidinyl)amino]-2-pyrimidinyl]amino]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[[4-[methyl-(2-phenylpyrimidin-4-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone Traditional Name: 1-[4-[[4-[methyl-(2-phenylpyrimidin-4-yl)amino]pyrimidin-2-yl]amino]piperidino]ethanone Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)NC2=NC=CC(=N2)N(C)C3=NC(=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)NC2=NC=CC(=N2)N(C)C3=NC(=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N7O/c1-16(30)29-14-10-18(11-15-29)25-22-24-13-9-20(27-22)28(2)19-8-12-23-21(26-19)17-6-4-3-5-7-17/h3-9,12-13,18H,10-11,14-15H2,1-2H3,(H,24,25,27)