[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-chloranyladamantane-1-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H33ClN4O4 MolecularWeight: 476.99622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)CCC

InChI

InChI=1S/C24H33ClN4O4/c1-3-5-7-29-19-18(20(30)27-22(29)32)28(6-4-2)17(26-19)13-33-21(31)23-9-15-8-16(10-23)12-24(25,11-15)14-23/h15-16H,3-14H2,1-2H3,(H,27,30,32)