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

Systemtic Name: 2-azanyl-N-[3-[(5-bromanyl-4-prop-2-ynoxy-pyrimidin-2-yl)amino]phenyl]-3-phenyl-propanamide Openeye Name: 2-amino-N-[3-[(5-bromo-4-prop-2-ynoxy-pyrimidin-2-yl)amino]phenyl]-3-phenyl-propanamide CAS Name: 2-amino-N-[3-[(5-bromo-4-prop-2-ynoxy-2-pyrimidinyl)amino]phenyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[3-[(5-bromo-4-prop-2-ynoxypyrimidin-2-yl)amino]phenyl]-3-phenylpropanamide Traditional Name: 2-amino-N-[3-[(5-bromo-4-propargyloxy-pyrimidin-2-yl)amino]phenyl]-3-phenyl-propionamide Formula: C22H20BrN5O2 MolecularWeight: 466.3305

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=NC(=NC=C1Br)NC2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C#CCOC1=NC(=NC=C1Br)NC2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C22H20BrN5O2/c1-2-11-30-21-18(23)14-25-22(28-21)27-17-10-6-9-16(13-17)26-20(29)19(24)12-15-7-4-3-5-8-15/h1,3-10,13-14,19H,11-12,24H2,(H,26,29)(H,25,27,28)