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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCOCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCOCC4)N(C(=O)N(C2=O)C)C

InChI

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