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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-tert-butylcyclohexane-1-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O4/c1-6-7-12-26-18-17(19(27)24-21(26)29)25(5)16(23-18)13-30-20(28)14-8-10-15(11-9-14)22(2,3)4/h14-15H,6-13H2,1-5H3,(H,24,27,29)