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9-methyl-7-oxidanidyl-6-(phenethylamino)purin-7-ium-8-carboxylate

9-methyl-7-oxidanidyl-6-(phenethylamino)purin-7-ium-8-carboxylate

Systemtic Name:9-methyl-7-oxidanidyl-6-(phenethylamino)purin-7-ium-8-carboxylate
Openeye Name:9-methyl-7-oxido-6-(phenethylamino)purin-7-ium-8-carboxylate
CAS Name:9-methyl-7-oxido-6-(phenethylamino)-8-purin-7-iumcarboxylate
IUPAC Name:9-methyl-7-oxido-6-(phenethylamino)purin-7-ium-8-carboxylate
Traditional Name:9-methyl-7-oxido-6-(phenethylamino)purin-7-ium-8-carboxylate
Formula: C15H14N5O3-
MolecularWeight: 312.30336
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=C1C(=O)[O-])[O-]


Isomeric SMILES

CN1C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=C1C(=O)[O-])[O-]


InChI

InChI=1S/C15H15N5O3/c1-19-13-11(20(23)14(19)15(21)22)12(17-9-18-13)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,21,22)(H,16,17,18)/p-1


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