1-[2-[bis(2-methoxyethyl)amino]-5-bromanyl-phenyl]-3-(5-cyanopyrazin-2-yl)urea

Systemtic Name: 1-[2-[bis(2-methoxyethyl)amino]-5-bromanyl-phenyl]-3-(5-cyanopyrazin-2-yl)urea Openeye Name: 1-[2-[bis(2-methoxyethyl)amino]-5-bromo-phenyl]-3-(5-cyanopyrazin-2-yl)urea CAS Name: 1-[2-[bis(2-methoxyethyl)amino]-5-bromophenyl]-3-(5-cyano-2-pyrazinyl)urea IUPAC Name: 1-[2-[bis(2-methoxyethyl)amino]-5-bromophenyl]-3-(5-cyanopyrazin-2-yl)urea Traditional Name: 1-[2-[bis(2-methoxyethyl)amino]-5-bromo-phenyl]-3-(5-cyanopyrazin-2-yl)urea Formula: C18H21BrN6O3 MolecularWeight: 449.30174

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=C(C=C(C=C1)Br)NC(=O)NC2=NC=C(N=C2)C#N

Isomeric SMILES

COCCN(CCOC)C1=C(C=C(C=C1)Br)NC(=O)NC2=NC=C(N=C2)C#N

InChI

InChI=1S/C18H21BrN6O3/c1-27-7-5-25(6-8-28-2)16-4-3-13(19)9-15(16)23-18(26)24-17-12-21-14(10-20)11-22-17/h3-4,9,11-12H,5-8H2,1-2H3,(H2,22,23,24,26)