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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3CCCCC3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3CCCCC3)C

InChI

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