(1E)-1-[azanyl(azepan-1-yl)methylidene]-3-pyridin-4-yl-urea

Systemtic Name: (1E)-1-[azanyl(azepan-1-yl)methylidene]-3-pyridin-4-yl-urea Openeye Name: (1E)-1-[amino(azepan-1-yl)methylene]-3-(4-pyridyl)urea CAS Name: (1E)-1-[amino(1-azepanyl)methylidene]-3-pyridin-4-ylurea IUPAC Name: (1E)-1-[amino(azepan-1-yl)methylidene]-3-pyridin-4-ylurea Traditional Name: (1E)-1-[amino(azepan-1-yl)methylene]-3-(4-pyridyl)urea Formula: C13H19N5O MolecularWeight: 261.32286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC(=O)NC2=CC=NC=C2)N

Isomeric SMILES

C1CCCN(CC1)/C(=N/C(=O)NC2=CC=NC=C2)/N

InChI

InChI=1S/C13H19N5O/c14-12(18-9-3-1-2-4-10-18)17-13(19)16-11-5-7-15-8-6-11/h5-8H,1-4,9-10H2,(H3,14,15,16,17,19)