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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl cyclohexanecarboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C20H30N4O4 MolecularWeight: 390.4766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4/c1-3-5-12-24-17-16(18(25)22-20(24)27)23(11-4-2)15(21-17)13-28-19(26)14-9-7-6-8-10-14/h14H,3-13H2,1-2H3,(H,22,25,27)