N-(1-adamantylcarbamoyl)-2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C20H25ClN6O4 MolecularWeight: 448.9033

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25ClN6O4/c1-25-15-14(16(29)26(2)19(25)31)27(17(21)23-15)9-13(28)22-18(30)24-20-6-10-3-11(7-20)5-12(4-10)8-20/h10-12H,3-9H2,1-2H3,(H2,22,24,28,30)