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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide Formula: C22H18N6O4S MolecularWeight: 462.48112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H18N6O4S/c1-26-12-23-19-18(26)20(30)28(22(31)27(19)2)11-17(29)25-21-24-15-9-8-14(10-16(15)33-21)32-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,24,25,29)