N-[3-[(5-bromanyl-4-prop-2-ynoxy-pyrimidin-2-yl)amino]phenyl]-3-(4-methylphenyl)propanamide

Systemtic Name: N-[3-[(5-bromanyl-4-prop-2-ynoxy-pyrimidin-2-yl)amino]phenyl]-3-(4-methylphenyl)propanamide Openeye Name: N-[3-[(5-bromo-4-prop-2-ynoxy-pyrimidin-2-yl)amino]phenyl]-3-(p-tolyl)propanamide CAS Name: N-[3-[(5-bromo-4-prop-2-ynoxy-2-pyrimidinyl)amino]phenyl]-3-(4-methylphenyl)propanamide IUPAC Name: N-[3-[(5-bromo-4-prop-2-ynoxypyrimidin-2-yl)amino]phenyl]-3-(4-methylphenyl)propanamide Traditional Name: N-[3-[(5-bromo-4-propargyloxy-pyrimidin-2-yl)amino]phenyl]-3-(p-tolyl)propionamide Formula: C23H21BrN4O2 MolecularWeight: 465.34244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)OCC#C)Br

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)OCC#C)Br

InChI

InChI=1S/C23H21BrN4O2/c1-3-13-30-22-20(24)15-25-23(28-22)27-19-6-4-5-18(14-19)26-21(29)12-11-17-9-7-16(2)8-10-17/h1,4-10,14-15H,11-13H2,2H3,(H,26,29)(H,25,27,28)