1-[2-azanyl-4-[(Z)-C-(bromomethyl)-N-pyridin-2-yl-carbonimidoyl]-6-methyl-phenyl]-3-propyl-urea

Systemtic Name: 1-[2-azanyl-4-[(Z)-C-(bromomethyl)-N-pyridin-2-yl-carbonimidoyl]-6-methyl-phenyl]-3-propyl-urea Openeye Name: 1-[2-amino-4-[(Z)-C-(bromomethyl)-N-(2-pyridyl)carbonimidoyl]-6-methyl-phenyl]-3-propyl-urea CAS Name: 1-[2-amino-4-[(1Z)-2-bromo-1-(2-pyridinylimino)ethyl]-6-methylphenyl]-3-propylurea IUPAC Name: 1-[2-amino-4-[(Z)-C-(bromomethyl)-N-pyridin-2-ylcarbonimidoyl]-6-methylphenyl]-3-propylurea Traditional Name: 1-[2-amino-4-[(Z)-C-(bromomethyl)-N-(2-pyridyl)carbonimidoyl]-6-methyl-phenyl]-3-propyl-urea Formula: C18H22BrN5O MolecularWeight: 404.30418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=C(C=C(C=C1N)C(=NC2=CC=CC=N2)CBr)C

Isomeric SMILES

CCCNC(=O)NC1=C(C=C(C=C1N)/C(=N/C2=CC=CC=N2)/CBr)C

InChI

InChI=1S/C18H22BrN5O/c1-3-7-22-18(25)24-17-12(2)9-13(10-14(17)20)15(11-19)23-16-6-4-5-8-21-16/h4-6,8-10H,3,7,11,20H2,1-2H3,(H2,22,24,25)/b23-15+