1-[4-[1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[1-[6-(3-bromoanilino)pyrimidin-4-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[1-[6-(3-bromoanilino)-4-pyrimidinyl]-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[1-[6-(3-bromoanilino)pyrimidin-4-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[1-[6-(3-bromoanilino)pyrimidin-4-yl]prolyl]piperazino]ethanone Formula: C21H25BrN6O2 MolecularWeight: 473.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H25BrN6O2/c1-15(29)26-8-10-27(11-9-26)21(30)18-6-3-7-28(18)20-13-19(23-14-24-20)25-17-5-2-4-16(22)12-17/h2,4-5,12-14,18H,3,6-11H2,1H3,(H,23,24,25)