9-[(4-methoxyphenyl)methyl]-7-oxidanidyl-3H-purin-7-ium-6-thione

Systemtic Name: 9-[(4-methoxyphenyl)methyl]-7-oxidanidyl-3H-purin-7-ium-6-thione Openeye Name: 9-[(4-methoxyphenyl)methyl]-7-oxido-3H-purin-7-ium-6-thione CAS Name: 9-[(4-methoxyphenyl)methyl]-7-oxido-3H-purin-7-ium-6-thione IUPAC Name: 9-[(4-methoxyphenyl)methyl]-7-oxido-3H-purin-7-ium-6-thione Traditional Name: 7-oxido-9-p-anisyl-3H-purin-7-ium-6-thione Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=[N+](C3=C2NC=NC3=S)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=[N+](C3=C2NC=NC3=S)[O-]

InChI

InChI=1S/C13H12N4O2S/c1-19-10-4-2-9(3-5-10)6-16-8-17(18)11-12(16)14-7-15-13(11)20/h2-5,7-8H,6H2,1H3,(H,14,15,20)