1,3-dimethyl-2-oxidanylidene-purin-6-olate; [2-methoxy-3-(pyridin-3-ylcarbamoylamino)propyl]mercury(1+)

Systemtic Name: 1,3-dimethyl-2-oxidanylidene-purin-6-olate; [2-methoxy-3-(pyridin-3-ylcarbamoylamino)propyl]mercury(1+) Openeye Name: 1,3-dimethyl-2-oxo-purin-6-olate; [2-methoxy-3-(3-pyridylcarbamoylamino)propyl]mercury(1+) CAS Name: 1,3-dimethyl-2-oxo-6-purinolate; [2-methoxy-3-[[oxo-(3-pyridinylamino)methyl]amino]propyl]mercury(1+) IUPAC Name: 1,3-dimethyl-2-oxopurin-6-olate; [2-methoxy-3-(pyridin-3-ylcarbamoylamino)propyl]mercury(1+) Traditional Name: 2-keto-1,3-dimethyl-purin-6-olate; [2-methoxy-3-(3-pyridylcarbamoylamino)propyl]mercury(1+) Formula: C17H21HgN7O4 MolecularWeight: 587.98314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].COC(CNC(=O)NC1=CN=CC=C1)C[Hg+]

Isomeric SMILES

CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].COC(CNC(=O)NC1=CN=CC=C1)C[Hg+]

InChI

InChI=1S/C10H14N3O2.C7H8N4O2.Hg/c1-8(15-2)6-12-10(14)13-9-4-3-5-11-7-9;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3-5,7-8H,1,6H2,2H3,(H2,12,13,14);3,12H,1-2H3;/q;;+1/p-1