[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl adamantane-2-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl adamantane-2-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3C4CC5CC(C4)CC3C5)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3C4CC5CC(C4)CC3C5)CC

InChI

InChI=1S/C23H32N4O4/c1-3-5-6-27-20-19(21(28)25-23(27)30)26(4-2)17(24-20)12-31-22(29)18-15-8-13-7-14(10-15)11-16(18)9-13/h13-16,18H,3-12H2,1-2H3,(H,25,28,30)