N-(4-methylphenyl)sulfonyl-2,6-bis(oxidanylidene)-3H-purine-9-carboxamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-2,6-bis(oxidanylidene)-3H-purine-9-carboxamide Openeye Name: 2,6-dioxo-N-(p-tolylsulfonyl)-3H-purine-9-carboxamide CAS Name: N-(4-methylphenyl)sulfonyl-2,6-dioxo-3H-purine-9-carboxamide IUPAC Name: N-(4-methylphenyl)sulfonyl-2,6-dioxo-3H-purine-9-carboxamide Traditional Name: 2,6-diketo-N-tosyl-3H-purine-9-carboxamide Formula: C13H11N5O5S MolecularWeight: 349.32194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C=NC3=C2NC(=O)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C=NC3=C2NC(=O)NC3=O

InChI

InChI=1S/C13H11N5O5S/c1-7-2-4-8(5-3-7)24(22,23)17-13(21)18-6-14-9-10(18)15-12(20)16-11(9)19/h2-6H,1H3,(H,17,21)(H2,15,16,19,20)