6-[(2-methoxy-2-oxidanylidene-ethyl)-methyl-amino]-9-methyl-7-oxidanidyl-purin-7-ium-8-carboxylate

Systemtic Name: 6-[(2-methoxy-2-oxidanylidene-ethyl)-methyl-amino]-9-methyl-7-oxidanidyl-purin-7-ium-8-carboxylate Openeye Name: 6-[(2-methoxy-2-oxo-ethyl)-methyl-amino]-9-methyl-7-oxido-purin-7-ium-8-carboxylate CAS Name: 6-[(2-methoxy-2-oxoethyl)-methylamino]-9-methyl-7-oxido-8-purin-7-iumcarboxylate IUPAC Name: 6-[(2-methoxy-2-oxoethyl)-methylamino]-9-methyl-7-oxidopurin-7-ium-8-carboxylate Traditional Name: 6-[(2-keto-2-methoxy-ethyl)-methyl-amino]-9-methyl-7-oxido-purin-7-ium-8-carboxylate Formula: C11H12N5O5- MolecularWeight: 294.24348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)N(C)CC(=O)OC)[N+](=C1C(=O)[O-])[O-]

Isomeric SMILES

CN1C2=C(C(=NC=N2)N(C)CC(=O)OC)[N+](=C1C(=O)[O-])[O-]

InChI

InChI=1S/C11H13N5O5/c1-14(4-6(17)21-3)8-7-9(13-5-12-8)15(2)10(11(18)19)16(7)20/h5H,4H2,1-3H3,(H,18,19)/p-1