1-(6-butyl-5-pyridin-4-yl-pyridin-2-yl)-3-methyl-urea

Systemtic Name: 1-(6-butyl-5-pyridin-4-yl-pyridin-2-yl)-3-methyl-urea Openeye Name: 1-[6-butyl-5-(4-pyridyl)-2-pyridyl]-3-methyl-urea CAS Name: 1-(6-butyl-5-pyridin-4-yl-2-pyridinyl)-3-methylurea IUPAC Name: 1-(6-butyl-5-pyridin-4-ylpyridin-2-yl)-3-methylurea Traditional Name: 1-[6-butyl-5-(4-pyridyl)-2-pyridyl]-3-methyl-urea Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=N1)NC(=O)NC)C2=CC=NC=C2

Isomeric SMILES

CCCCC1=C(C=CC(=N1)NC(=O)NC)C2=CC=NC=C2

InChI

InChI=1S/C16H20N4O/c1-3-4-5-14-13(12-8-10-18-11-9-12)6-7-15(19-14)20-16(21)17-2/h6-11H,3-5H2,1-2H3,(H2,17,19,20,21)