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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl adamantane-2-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-3-4-5-26-19-18(20(27)24-22(26)29)25(2)16(23-19)11-30-21(28)17-14-7-12-6-13(9-14)10-15(17)8-12/h12-15,17H,3-11H2,1-2H3,(H,24,27,29)