6-(6-azanyl-5-nitro-pyrimidin-4-yl)oxy-1,3-benzoxathiol-2-one

Systemtic Name: 6-(6-azanyl-5-nitro-pyrimidin-4-yl)oxy-1,3-benzoxathiol-2-one Openeye Name: 6-(6-amino-5-nitro-pyrimidin-4-yl)oxy-1,3-benzoxathiol-2-one CAS Name: 6-[(6-amino-5-nitro-4-pyrimidinyl)oxy]-1,3-benzoxathiol-2-one IUPAC Name: 6-(6-amino-5-nitropyrimidin-4-yl)oxy-1,3-benzoxathiol-2-one Traditional Name: 6-(6-amino-5-nitro-pyrimidin-4-yl)oxy-1,3-benzoxathiol-2-one Formula: C11H6N4O5S MolecularWeight: 306.25414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC3=NC=NC(=C3[N+](=O)[O-])N)OC(=O)S2

Isomeric SMILES

C1=CC2=C(C=C1OC3=NC=NC(=C3[N+](=O)[O-])N)OC(=O)S2

InChI

InChI=1S/C11H6N4O5S/c12-9-8(15(17)18)10(14-4-13-9)19-5-1-2-7-6(3-5)20-11(16)21-7/h1-4H,(H2,12,13,14)