(5-bromanylfuran-2-yl)-[4-[2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (5-bromanylfuran-2-yl)-[4-[2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (5-bromo-2-furyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (5-bromo-2-furanyl)-[4-[2-methyl-6-(4-methylanilino)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (5-bromofuran-2-yl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (5-bromo-2-furyl)-[4-[2-methyl-6-(p-toluidino)pyrimidin-4-yl]piperazino]methanone Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=CC=C(O4)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=CC=C(O4)Br)C

InChI

InChI=1S/C21H22BrN5O2/c1-14-3-5-16(6-4-14)25-19-13-20(24-15(2)23-19)26-9-11-27(12-10-26)21(28)17-7-8-18(22)29-17/h3-8,13H,9-12H2,1-2H3,(H,23,24,25)