4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-3-methoxy-benzenesulfonyl chloride

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-3-methoxy-benzenesulfonyl chloride Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-methoxy-benzenesulfonyl chloride CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-methoxybenzenesulfonyl chloride IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-methoxybenzenesulfonyl chloride Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-3-methoxy-benzenesulfonyl chloride Formula: C14H13ClN4O5S MolecularWeight: 384.79482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=C(C=C3)S(=O)(=O)Cl)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=C(C=C3)S(=O)(=O)Cl)OC

InChI

InChI=1S/C14H13ClN4O5S/c1-18-12-10(13(20)19(2)14(18)21)16-11(17-12)8-5-4-7(25(15,22)23)6-9(8)24-3/h4-6H,1-3H3,(H,16,17)