3-bromanyl-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide

Systemtic Name: 3-bromanyl-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide Openeye Name: 3-bromo-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide CAS Name: 3-bromo-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]benzamide IUPAC Name: 3-bromo-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide Traditional Name: 3-bromo-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide Formula: C21H21BrN4O MolecularWeight: 425.32164

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=NC=C1)NC(C)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCN(C1=NC(=NC=C1)N[C@H](C)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN4O/c1-3-26(20(27)17-10-7-11-18(22)14-17)19-12-13-23-21(25-19)24-15(2)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3,(H,23,24,25)/t15-/m1/s1