1-(1-isocyanatohexan-3-yl)-3-pyridin-3-yl-urea

Systemtic Name: 1-(1-isocyanatohexan-3-yl)-3-pyridin-3-yl-urea Openeye Name: 1-[1-(2-isocyanatoethyl)butyl]-3-(3-pyridyl)urea CAS Name: 1-(1-isocyanatohexan-3-yl)-3-(3-pyridinyl)urea IUPAC Name: 1-(1-isocyanatohexan-3-yl)-3-pyridin-3-ylurea Traditional Name: 1-[1-(2-isocyanatoethyl)butyl]-3-(3-pyridyl)urea Formula: C13H18N4O2 MolecularWeight: 262.30762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCN=C=O)NC(=O)NC1=CN=CC=C1

Isomeric SMILES

CCCC(CCN=C=O)NC(=O)NC1=CN=CC=C1

InChI

InChI=1S/C13H18N4O2/c1-2-4-11(6-8-15-10-18)16-13(19)17-12-5-3-7-14-9-12/h3,5,7,9,11H,2,4,6,8H2,1H3,(H2,16,17,19)