2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC4=C(C=CC=C4S3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC4=C(C=CC=C4S3)OC

InChI

InChI=1S/C17H16N6O4S/c1-21-14-13(15(25)22(2)17(21)26)23(8-18-14)7-11(24)19-16-20-12-9(27-3)5-4-6-10(12)28-16/h4-6,8H,7H2,1-3H3,(H,19,20,24)