N-(1-adamantyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]acetamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H27N5O3S/c1-23-15-16(24(2)19(28)25(3)17(15)27)21-18(23)29-10-14(26)22-20-7-11-4-12(8-20)6-13(5-11)9-20/h11-13H,4-10H2,1-3H3,(H,22,26)