6-[bis(2-hydroxyethyl)amino]-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-[bis(2-hydroxyethyl)amino]-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-[bis(2-hydroxyethyl)amino]-5-nitro-1H-pyrimidin-4-one CAS Name: 6-[bis(2-hydroxyethyl)amino]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-[bis(2-hydroxyethyl)amino]-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-[bis(2-hydroxyethyl)amino]-5-nitro-1H-pyrimidin-4-one Formula: C8H12N4O5 MolecularWeight: 244.20468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C(=C(N1)N(CCO)CCO)[N+](=O)[O-]

Isomeric SMILES

C1=NC(=O)C(=C(N1)N(CCO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C8H12N4O5/c13-3-1-11(2-4-14)7-6(12(16)17)8(15)10-5-9-7/h5,13-14H,1-4H2,(H,9,10,15)