2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]-N-(3-sulfamoylphenyl)propionamide Formula: C16H18N6O5S2 MolecularWeight: 438.48132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H18N6O5S2/c1-8(13(23)18-9-5-4-6-10(7-9)29(17,26)27)28-15-19-11-12(20-15)21(2)16(25)22(3)14(11)24/h4-8H,1-3H3,(H,18,23)(H,19,20)(H2,17,26,27)