N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

Systemtic Name: N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Openeye Name: N-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-5-methyl-isoxazol-3-amine CAS Name: N-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-5-methyl-3-isoxazolamine IUPAC Name: N-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C14H18N6O3/c1-10-8-11(18-23-10)17-13-12(20(21)22)14(16-9-15-13)19-6-4-2-3-5-7-19/h8-9H,2-7H2,1H3,(H,15,16,17,18)