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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(2-morpholinophenyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]-N-[2-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(2-morpholinophenyl)acetamide Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCOCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCOCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H28N6O4S/c1-14(2)28-18-19(25(3)22(31)26(4)20(18)30)24-21(28)33-13-17(29)23-15-7-5-6-8-16(15)27-9-11-32-12-10-27/h5-8,14H,9-13H2,1-4H3,(H,23,29)