3-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-N,N-dimethyl-benzenesulfonamide Formula: C16H18ClN5O4S MolecularWeight: 411.86322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H18ClN5O4S/c1-19(2)27(25,26)11-7-5-6-10(8-11)9-22-12-13(18-15(22)17)20(3)16(24)21(4)14(12)23/h5-8H,9H2,1-4H3