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9-[(3-nitrophenyl)methyl]-3H-purine-6-thione

9-[(3-nitrophenyl)methyl]-3H-purine-6-thione

Systemtic Name:9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
Openeye Name:9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
CAS Name:9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
IUPAC Name:9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
Traditional Name:9-(3-nitrobenzyl)-3H-purine-6-thione
Formula: C12H9N5O2S
MolecularWeight: 287.29716
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2NC=NC3=S


Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2NC=NC3=S


InChI

InChI=1S/C12H9N5O2S/c18-17(19)9-3-1-2-8(4-9)5-16-7-15-10-11(16)13-6-14-12(10)20/h1-4,6-7H,5H2,(H,13,14,20)


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