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

Systemtic Name: 1-[2-[(2-bromanyl-4-propan-2-yl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl]piperidin-4-one Openeye Name: 1-[2-(2-bromo-N-ethyl-4-isopropyl-anilino)-6-methyl-pyrimidin-4-yl]piperidin-4-one CAS Name: 1-[2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methyl-4-pyrimidinyl]-4-piperidinone IUPAC Name: 1-[2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methylpyrimidin-4-yl]piperidin-4-one Traditional Name: 1-[2-(2-bromo-N-ethyl-4-isopropyl-anilino)-6-methyl-pyrimidin-4-yl]-4-piperidone Formula: C21H27BrN4O MolecularWeight: 431.36928

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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)N3CCC(=O)CC3)C

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)N3CCC(=O)CC3)C

InChI

InChI=1S/C21H27BrN4O/c1-5-26(19-7-6-16(14(2)3)13-18(19)22)21-23-15(4)12-20(24-21)25-10-8-17(27)9-11-25/h6-7,12-14H,5,8-11H2,1-4H3