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

Systemtic Name: 2,6-bis(azanyl)-5-(1-nitro-4-oxidanyl-butan-2-yl)-1H-pyrimidin-4-one Openeye Name: 2,6-diamino-5-[3-hydroxy-1-(nitromethyl)propyl]-1H-pyrimidin-4-one CAS Name: 2,6-diamino-5-(4-hydroxy-1-nitrobutan-2-yl)-1H-pyrimidin-4-one IUPAC Name: 2,6-diamino-5-(4-hydroxy-1-nitrobutan-2-yl)-1H-pyrimidin-4-one Traditional Name: 2,6-diamino-5-[3-hydroxy-1-(nitromethyl)propyl]-1H-pyrimidin-4-one Formula: C8H13N5O4 MolecularWeight: 243.21992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N5O4/c9-6-5(7(15)12-8(10)11-6)4(1-2-14)3-13(16)17/h4,14H,1-3H2,(H5,9,10,11,12,15)