1-[[2-[(2-bromanyl-4-propan-2-yl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl]methyl]piperidin-4-one

Systemtic Name: 1-[[2-[(2-bromanyl-4-propan-2-yl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl]methyl]piperidin-4-one Openeye Name: 1-[[2-(2-bromo-N-ethyl-4-isopropyl-anilino)-6-methyl-pyrimidin-4-yl]methyl]piperidin-4-one CAS Name: 1-[[2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methyl-4-pyrimidinyl]methyl]-4-piperidinone IUPAC Name: 1-[[2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methylpyrimidin-4-yl]methyl]piperidin-4-one Traditional Name: 1-[[2-(2-bromo-N-ethyl-4-isopropyl-anilino)-6-methyl-pyrimidin-4-yl]methyl]-4-piperidone Formula: C22H29BrN4O MolecularWeight: 445.39586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)CN3CCC(=O)CC3)C

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)CN3CCC(=O)CC3)C

InChI

InChI=1S/C22H29BrN4O/c1-5-27(21-7-6-17(15(2)3)13-20(21)23)22-24-16(4)12-18(25-22)14-26-10-8-19(28)9-11-26/h6-7,12-13,15H,5,8-11,14H2,1-4H3