2-[[5-bromanyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-butan-2-yl-benzamide

Systemtic Name: 2-[[5-bromanyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-butan-2-yl-benzamide Openeye Name: 2-[[5-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-sec-butyl-benzamide CAS Name: 2-[[5-bromo-2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]amino]-N-butan-2-ylbenzamide IUPAC Name: 2-[[5-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-butan-2-ylbenzamide Traditional Name: 2-[[5-bromo-2-(4-methylpiperazino)pyrimidin-4-yl]amino]-N-sec-butyl-benzamide Formula: C20H27BrN6O MolecularWeight: 447.37198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)N3CCN(CC3)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)N3CCN(CC3)C

InChI

InChI=1S/C20H27BrN6O/c1-4-14(2)23-19(28)15-7-5-6-8-17(15)24-18-16(21)13-22-20(25-18)27-11-9-26(3)10-12-27/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,28)(H,22,24,25)