N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C20H22N6O4S2 MolecularWeight: 474.55648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H22N6O4S2/c1-5-26-15-16(24(3)20(29)25(4)17(15)28)23-19(26)31-10-14(27)22-18-21-12-8-7-11(30-6-2)9-13(12)32-18/h7-9H,5-6,10H2,1-4H3,(H,21,22,27)