1-[5-cyano-2-[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]phenyl]-3-(5-cyanopyrazin-2-yl)urea

Systemtic Name: 1-[5-cyano-2-[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]phenyl]-3-(5-cyanopyrazin-2-yl)urea Openeye Name: 1-[5-cyano-2-[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]phenyl]-3-(5-cyanopyrazin-2-yl)urea CAS Name: 1-[5-cyano-2-[(2-hydroxy-2-phenylethyl)-methylamino]phenyl]-3-(5-cyano-2-pyrazinyl)urea IUPAC Name: 1-[5-cyano-2-[(2-hydroxy-2-phenylethyl)-methylamino]phenyl]-3-(5-cyanopyrazin-2-yl)urea Traditional Name: 1-[5-cyano-2-[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]phenyl]-3-(5-cyanopyrazin-2-yl)urea Formula: C22H19N7O2 MolecularWeight: 413.43196

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C1=CC=CC=C1)O)C2=C(C=C(C=C2)C#N)NC(=O)NC3=NC=C(N=C3)C#N

Isomeric SMILES

CN(CC(C1=CC=CC=C1)O)C2=C(C=C(C=C2)C#N)NC(=O)NC3=NC=C(N=C3)C#N

InChI

InChI=1S/C22H19N7O2/c1-29(14-20(30)16-5-3-2-4-6-16)19-8-7-15(10-23)9-18(19)27-22(31)28-21-13-25-17(11-24)12-26-21/h2-9,12-13,20,30H,14H2,1H3,(H2,26,27,28,31)