2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C19H17N7O5S2 MolecularWeight: 487.51218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CC#C

InChI

InChI=1S/C19H17N7O5S2/c1-4-7-26-12-6-5-11(33(20,30)31)8-13(12)32-18(26)22-14(27)9-25-10-21-16-15(25)17(28)24(3)19(29)23(16)2/h1,5-6,8,10H,7,9H2,2-3H3,(H2,20,30,31)