N-[3-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[(5-bromanyl-4-prop-2-ynoxy-pyrimidin-2-yl)amino]phenyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[3-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[(5-bromanyl-4-prop-2-ynoxy-pyrimidin-2-yl)amino]phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[3-[(2-amino-3-phenyl-propanoyl)amino]-5-[(5-bromo-4-prop-2-ynoxy-pyrimidin-2-yl)amino]phenyl]pyrrolidine-1-carboxamide CAS Name: N-[3-[(2-amino-1-oxo-3-phenylpropyl)amino]-5-[(5-bromo-4-prop-2-ynoxy-2-pyrimidinyl)amino]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[3-[(2-amino-3-phenylpropanoyl)amino]-5-[(5-bromo-4-prop-2-ynoxypyrimidin-2-yl)amino]phenyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-[(5-bromo-4-propargyloxy-pyrimidin-2-yl)amino]-5-(phenylalanylamino)phenyl]pyrrolidine-1-carboxamide Formula: C27H28BrN7O3 MolecularWeight: 578.46032

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=NC(=NC=C1Br)NC2=CC(=CC(=C2)NC(=O)N3CCCC3)NC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

C#CCOC1=NC(=NC=C1Br)NC2=CC(=CC(=C2)NC(=O)N3CCCC3)NC(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C27H28BrN7O3/c1-2-12-38-25-22(28)17-30-26(34-25)32-20-14-19(15-21(16-20)33-27(37)35-10-6-7-11-35)31-24(36)23(29)13-18-8-4-3-5-9-18/h1,3-5,8-9,14-17,23H,6-7,10-13,29H2,(H,31,36)(H,33,37)(H,30,32,34)