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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl cyclohex-3-ene-1-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4/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/h6-7,14H,3-5,8-13H2,1-2H3,(H,22,25,27)