5-fluoranyl-2,4-bis(oxidanylidene)-N-[6-[(pyridin-3-ylcarbonylamino)carbamoylamino]hexyl]pyrimidine-1-carboxamide

Systemtic Name: 5-fluoranyl-2,4-bis(oxidanylidene)-N-[6-[(pyridin-3-ylcarbonylamino)carbamoylamino]hexyl]pyrimidine-1-carboxamide Openeye Name: 5-fluoro-2,4-dioxo-N-[6-[(pyridine-3-carbonylamino)carbamoylamino]hexyl]pyrimidine-1-carboxamide CAS Name: 5-fluoro-2,4-dioxo-N-[6-[[oxo-[[oxo(3-pyridinyl)methyl]hydrazo]methyl]amino]hexyl]-1-pyrimidinecarboxamide IUPAC Name: 5-fluoro-2,4-dioxo-N-[6-[(pyridine-3-carbonylamino)carbamoylamino]hexyl]pyrimidine-1-carboxamide Traditional Name: 5-fluoro-2,4-diketo-N-[6-(nicotinamidocarbamoylamino)hexyl]pyrimidine-1-carboxamide Formula: C18H22FN7O5 MolecularWeight: 435.409583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NNC(=O)NCCCCCCNC(=O)N2C=C(C(=O)NC2=O)F

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NNC(=O)NCCCCCCNC(=O)N2C=C(C(=O)NC2=O)F

InChI

InChI=1S/C18H22FN7O5/c19-13-11-26(18(31)23-15(13)28)17(30)22-9-4-2-1-3-8-21-16(29)25-24-14(27)12-6-5-7-20-10-12/h5-7,10-11H,1-4,8-9H2,(H,22,30)(H,24,27)(H2,21,25,29)(H,23,28,31)