1-[5-bromanyl-2-[(3S)-3-oxidanylpiperidin-1-yl]phenyl]-3-(5-cyanopyrazin-2-yl)urea

Systemtic Name: 1-[5-bromanyl-2-[(3S)-3-oxidanylpiperidin-1-yl]phenyl]-3-(5-cyanopyrazin-2-yl)urea Openeye Name: 1-[5-bromo-2-[(3S)-3-hydroxy-1-piperidyl]phenyl]-3-(5-cyanopyrazin-2-yl)urea CAS Name: 1-[5-bromo-2-[(3S)-3-hydroxy-1-piperidinyl]phenyl]-3-(5-cyano-2-pyrazinyl)urea IUPAC Name: 1-[5-bromo-2-[(3S)-3-hydroxypiperidin-1-yl]phenyl]-3-(5-cyanopyrazin-2-yl)urea Traditional Name: 1-[5-bromo-2-[(3S)-3-hydroxypiperidino]phenyl]-3-(5-cyanopyrazin-2-yl)urea Formula: C17H17BrN6O2 MolecularWeight: 417.25988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)Br)NC(=O)NC3=NC=C(N=C3)C#N)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=C(C=C2)Br)NC(=O)NC3=NC=C(N=C3)C#N)O

InChI

InChI=1S/C17H17BrN6O2/c18-11-3-4-15(24-5-1-2-13(25)10-24)14(6-11)22-17(26)23-16-9-20-12(7-19)8-21-16/h3-4,6,8-9,13,25H,1-2,5,10H2,(H2,21,22,23,26)/t13-/m0/s1