[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-tert-butylcyclohexane-1-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H36N4O4 MolecularWeight: 432.55634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CCC(CC3)C(C)(C)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CCC(CC3)C(C)(C)C)CC

InChI

InChI=1S/C23H36N4O4/c1-6-8-13-27-19-18(20(28)25-22(27)30)26(7-2)17(24-19)14-31-21(29)15-9-11-16(12-10-15)23(3,4)5/h15-16H,6-14H2,1-5H3,(H,25,28,30)