N-(4-bromanyl-2-methyl-phenyl)-2-[methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[methyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-amino]acetamide Formula: C20H25BrN6O2 MolecularWeight: 461.3555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H25BrN6O2/c1-15-12-16(21)4-5-17(15)24-18(28)13-25(2)14-19(29)26-8-10-27(11-9-26)20-22-6-3-7-23-20/h3-7,12H,8-11,13-14H2,1-2H3,(H,24,28)