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9-(4-methoxyphenyl)-6-(methylamino)-1H-purin-2-one; sulfuric acid

9-(4-methoxyphenyl)-6-(methylamino)-1H-purin-2-one; sulfuric acid

Systemtic Name:9-(4-methoxyphenyl)-6-(methylamino)-1H-purin-2-one; sulfuric acid
Openeye Name:9-(4-methoxyphenyl)-6-(methylamino)-1H-purin-2-one; sulfuric acid
CAS Name:9-(4-methoxyphenyl)-6-(methylamino)-1H-purin-2-one; sulfuric acid
IUPAC Name:9-(4-methoxyphenyl)-6-(methylamino)-1H-purin-2-one; sulfuric acid
Traditional Name:9-(4-methoxyphenyl)-6-(methylamino)-1H-purin-2-one; sulfuric acid
Formula: C13H15N5O6S
MolecularWeight: 369.3531
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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C2C(=NC(=O)N1)N(C=N2)C3=CC=C(C=C3)OC.OS(=O)(=O)O


Isomeric SMILES

CNC1=C2C(=NC(=O)N1)N(C=N2)C3=CC=C(C=C3)OC.OS(=O)(=O)O


InChI

InChI=1S/C13H13N5O2.H2O4S/c1-14-11-10-12(17-13(19)16-11)18(7-15-10)8-3-5-9(20-2)6-4-8;1-5(2,3)4/h3-7H,1-2H3,(H2,14,16,17,19);(H2,1,2,3,4)


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