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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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