2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(2-morpholinophenyl)acetamide CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-[2-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(2-morpholinophenyl)acetamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCOCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCOCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H26N6O4S/c1-4-27-17-18(24(2)21(30)25(3)19(17)29)23-20(27)32-13-16(28)22-14-7-5-6-8-15(14)26-9-11-31-12-10-26/h5-8H,4,9-13H2,1-3H3,(H,22,28)