2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3=NOC(=C3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3=NOC(=C3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H22N6O4S/c1-5-6-7-23-13-14(21(3)17(26)22(4)15(13)25)19-16(23)28-9-12(24)18-11-8-10(2)27-20-11/h8H,5-7,9H2,1-4H3,(H,18,20,24)