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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl cyclohexanecarboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl cyclohexanecarboxylate CAS Name: 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 cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CCCCC3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CCCCC3)C

InChI

InChI=1S/C18H26N4O4/c1-3-4-10-22-15-14(16(23)20-18(22)25)21(2)13(19-15)11-26-17(24)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,20,23,25)