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benzaldehyde; 3,7-dihydropurine-6-thione

benzaldehyde; 3,7-dihydropurine-6-thione

Systemtic Name:benzaldehyde; 3,7-dihydropurine-6-thione
Openeye Name:benzaldehyde; 3,7-dihydropurine-6-thione
CAS Name:benzaldehyde; 3,7-dihydropurine-6-thione
IUPAC Name:benzaldehyde; 3,7-dihydropurine-6-thione
Traditional Name:benzaldehyde; 3,7-dihydropurine-6-thione
Formula: C12H10N4OS
MolecularWeight: 258.299
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=O.C1=NC2=C(N1)C(=S)N=CN2


Isomeric SMILES

C1=CC=C(C=C1)C=O.C1=NC2=C(N1)C(=S)N=CN2


InChI

InChI=1S/C7H6O.C5H4N4S/c8-6-7-4-2-1-3-5-7;10-5-3-4(7-1-6-3)8-2-9-5/h1-6H;1-2H,(H2,6,7,8,9,10)


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