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2-(phenylmethyl)sulfonyl-7,9-dihydro-3H-purine-6,8-dione

2-(phenylmethyl)sulfonyl-7,9-dihydro-3H-purine-6,8-dione

Systemtic Name:2-(phenylmethyl)sulfonyl-7,9-dihydro-3H-purine-6,8-dione
Openeye Name:2-benzylsulfonyl-7,9-dihydro-3H-purine-6,8-dione
CAS Name:2-(phenylmethyl)sulfonyl-7,9-dihydro-3H-purine-6,8-dione
IUPAC Name:2-benzylsulfonyl-7,9-dihydro-3H-purine-6,8-dione
Traditional Name:2-benzylsulfonyl-7,9-dihydro-3H-purine-6,8-quinone
Formula: C12H10N4O4S
MolecularWeight: 306.2972
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=NC(=O)C3=C(N2)NC(=O)N3


Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=NC(=O)C3=C(N2)NC(=O)N3


InChI

InChI=1S/C12H10N4O4S/c17-10-8-9(14-11(18)13-8)15-12(16-10)21(19,20)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17,18)


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