1-(pyridin-3-ylcarbonylamino)-3-[6-[(pyridin-3-ylcarbonylamino)carbamoylamino]hexyl]urea

Systemtic Name: 1-(pyridin-3-ylcarbonylamino)-3-[6-[(pyridin-3-ylcarbonylamino)carbamoylamino]hexyl]urea Openeye Name: 1-(pyridine-3-carbonylamino)-3-[6-[(pyridine-3-carbonylamino)carbamoylamino]hexyl]urea CAS Name: 1-[6-[[oxo-[[oxo(3-pyridinyl)methyl]hydrazo]methyl]amino]hexyl]-3-[[oxo(3-pyridinyl)methyl]amino]urea IUPAC Name: 1-(pyridine-3-carbonylamino)-3-[6-[(pyridine-3-carbonylamino)carbamoylamino]hexyl]urea Traditional Name: 1-nicotinamido-3-[6-(nicotinamidocarbamoylamino)hexyl]urea Formula: C20H26N8O4 MolecularWeight: 442.47164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NNC(=O)NCCCCCCNC(=O)NNC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NNC(=O)NCCCCCCNC(=O)NNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H26N8O4/c29-17(15-7-5-9-21-13-15)25-27-19(31)23-11-3-1-2-4-12-24-20(32)28-26-18(30)16-8-6-10-22-14-16/h5-10,13-14H,1-4,11-12H2,(H,25,29)(H,26,30)(H2,23,27,31)(H2,24,28,32)