1-[5-bromanyl-2-[2-hydroxyethyl-(phenylmethyl)amino]phenyl]-3-(5-cyanopyrazin-2-yl)urea

Systemtic Name: 1-[5-bromanyl-2-[2-hydroxyethyl-(phenylmethyl)amino]phenyl]-3-(5-cyanopyrazin-2-yl)urea Openeye Name: 1-[2-[benzyl(2-hydroxyethyl)amino]-5-bromo-phenyl]-3-(5-cyanopyrazin-2-yl)urea CAS Name: 1-[5-bromo-2-[2-hydroxyethyl-(phenylmethyl)amino]phenyl]-3-(5-cyano-2-pyrazinyl)urea IUPAC Name: 1-[2-[benzyl(2-hydroxyethyl)amino]-5-bromophenyl]-3-(5-cyanopyrazin-2-yl)urea Traditional Name: 1-[2-[benzyl(2-hydroxyethyl)amino]-5-bromo-phenyl]-3-(5-cyanopyrazin-2-yl)urea Formula: C21H19BrN6O2 MolecularWeight: 467.31856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN6O2/c22-16-6-7-19(28(8-9-29)14-15-4-2-1-3-5-15)18(10-16)26-21(30)27-20-13-24-17(11-23)12-25-20/h1-7,10,12-13,29H,8-9,14H2,(H2,25,26,27,30)