2,6-bis(azanyl)-5-(1-nitro-5-oxidanyl-pentan-2-yl)-1H-pyrimidin-4-one

Systemtic Name: 2,6-bis(azanyl)-5-(1-nitro-5-oxidanyl-pentan-2-yl)-1H-pyrimidin-4-one Openeye Name: 2,6-diamino-5-[4-hydroxy-1-(nitromethyl)butyl]-1H-pyrimidin-4-one CAS Name: 2,6-diamino-5-(5-hydroxy-1-nitropentan-2-yl)-1H-pyrimidin-4-one IUPAC Name: 2,6-diamino-5-(5-hydroxy-1-nitropentan-2-yl)-1H-pyrimidin-4-one Traditional Name: 2,6-diamino-5-[4-hydroxy-1-(nitromethyl)butyl]-1H-pyrimidin-4-one Formula: C9H15N5O4 MolecularWeight: 257.2465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(C[N+](=O)[O-])C1=C(NC(=NC1=O)N)N)CO

Isomeric SMILES

C(CC(C[N+](=O)[O-])C1=C(NC(=NC1=O)N)N)CO

InChI

InChI=1S/C9H15N5O4/c10-7-6(8(16)13-9(11)12-7)5(2-1-3-15)4-14(17)18/h5,15H,1-4H2,(H5,10,11,12,13,16)