4-(6-azanyl-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(6-azanyl-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylic acid Openeye Name: 4-(6-amino-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylic acid CAS Name: 4-(6-amino-5-nitro-4-pyrimidinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylic acid Traditional Name: 4-(6-amino-5-nitro-pyrimidin-4-yl)piperazine-1-carboxylic acid Formula: C9H12N6O4 MolecularWeight: 268.22938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)N)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)N)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H12N6O4/c10-7-6(15(18)19)8(12-5-11-7)13-1-3-14(4-2-13)9(16)17/h5H,1-4H2,(H,16,17)(H2,10,11,12)