N-(1-adamantyl)-2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)acetamide Formula: C25H37N5O4 MolecularWeight: 471.59238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC34CC5CC(C3)CC(C5)C4)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC34CC5CC(C3)CC(C5)C4)N(C(=N2)CO)CCC

InChI

InChI=1S/C25H37N5O4/c1-3-5-7-29-22-21(28(6-4-2)19(15-31)26-22)23(33)30(24(29)34)14-20(32)27-25-11-16-8-17(12-25)10-18(9-16)13-25/h16-18,31H,3-15H2,1-2H3,(H,27,32)