3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C23H31N5O5 MolecularWeight: 457.52274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCCCN4C(=O)C5=C(N=CN5C)N(C4=O)C

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCCCN4C(=O)C5=C(N=CN5C)N(C4=O)C

InChI

InChI=1S/C23H31N5O5/c1-14(29)25-23-10-15-7-16(11-23)9-22(8-15,12-23)20(31)33-6-4-5-28-19(30)17-18(24-13-26(17)2)27(3)21(28)32/h13,15-16H,4-12H2,1-3H3,(H,25,29)/t15-,16+,22?,23?