[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(1-adamantyl)ethanoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(1-adamantyl)ethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid (3-butyl-2,6-diketo-7-methyl-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)CC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H32N4O4/c1-3-4-5-27-20-19(21(29)25-22(27)30)26(2)17(24-20)13-31-18(28)12-23-9-14-6-15(10-23)8-16(7-14)11-23/h14-16H,3-13H2,1-2H3,(H,25,29,30)