1-[5-chloranyl-2-(3-methoxy-3-methyl-butoxy)phenyl]-3-(5-cyanopyrazin-2-yl)urea

Systemtic Name: 1-[5-chloranyl-2-(3-methoxy-3-methyl-butoxy)phenyl]-3-(5-cyanopyrazin-2-yl)urea Openeye Name: 1-[5-chloro-2-(3-methoxy-3-methyl-butoxy)phenyl]-3-(5-cyanopyrazin-2-yl)urea CAS Name: 1-[5-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]-3-(5-cyano-2-pyrazinyl)urea IUPAC Name: 1-[5-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]-3-(5-cyanopyrazin-2-yl)urea Traditional Name: 1-[5-chloro-2-(3-methoxy-3-methyl-butoxy)phenyl]-3-(5-cyanopyrazin-2-yl)urea Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC=C(N=C2)C#N)OC

Isomeric SMILES

CC(C)(CCOC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC=C(N=C2)C#N)OC

InChI

InChI=1S/C18H20ClN5O3/c1-18(2,26-3)6-7-27-15-5-4-12(19)8-14(15)23-17(25)24-16-11-21-13(9-20)10-22-16/h4-5,8,10-11H,6-7H2,1-3H3,(H2,22,23,24,25)