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

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

Systemtic Name:9-methyl-7-oxidanidyl-6-(propylamino)purin-7-ium-8-carboxylate
Openeye Name:9-methyl-7-oxido-6-(propylamino)purin-7-ium-8-carboxylate
CAS Name:9-methyl-7-oxido-6-(propylamino)-8-purin-7-iumcarboxylate
IUPAC Name:9-methyl-7-oxido-6-(propylamino)purin-7-ium-8-carboxylate
Traditional Name:9-methyl-7-oxido-6-(propylamino)purin-7-ium-8-carboxylate
Formula: C10H12N5O3-
MolecularWeight: 250.23398
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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC2=C1[N+](=C(N2C)C(=O)[O-])[O-]


Isomeric SMILES

CCCNC1=NC=NC2=C1[N+](=C(N2C)C(=O)[O-])[O-]


InChI

InChI=1S/C10H13N5O3/c1-3-4-11-7-6-8(13-5-12-7)14(2)9(10(16)17)15(6)18/h5H,3-4H2,1-2H3,(H,16,17)(H,11,12,13)/p-1


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