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

Systemtic Name: 1-[5-chloranyl-2-[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]phenyl]-3-(5-cyanopyrazin-2-yl)urea Openeye Name: 1-[5-chloro-2-[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]phenyl]-3-(5-cyanopyrazin-2-yl)urea CAS Name: 1-[5-chloro-2-[(2-hydroxy-2-phenylethyl)-methylamino]phenyl]-3-(5-cyano-2-pyrazinyl)urea IUPAC Name: 1-[5-chloro-2-[(2-hydroxy-2-phenylethyl)-methylamino]phenyl]-3-(5-cyanopyrazin-2-yl)urea Traditional Name: 1-[5-chloro-2-[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]phenyl]-3-(5-cyanopyrazin-2-yl)urea Formula: C21H19ClN6O2 MolecularWeight: 422.86756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN6O2/c1-28(13-19(29)14-5-3-2-4-6-14)18-8-7-15(22)9-17(18)26-21(30)27-20-12-24-16(10-23)11-25-20/h2-9,11-12,19,29H,13H2,1H3,(H2,25,26,27,30)