2-[[6-azanyl-2-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanol

Systemtic Name: 2-[[6-azanyl-2-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[6-amino-2-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[6-amino-2-(1-azepanyl)-5-nitro-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[6-amino-2-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C12H20N6O3 MolecularWeight: 296.3256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

Isomeric SMILES

C1CCCN(CC1)C2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N

InChI

InChI=1S/C12H20N6O3/c13-10-9(18(20)21)11(14-5-8-19)16-12(15-10)17-6-3-1-2-4-7-17/h19H,1-8H2,(H3,13,14,15,16)