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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-cyclopentylpropanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3CCCC3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3CCCC3)CCC

InChI

InChI=1S/C21H32N4O4/c1-3-5-13-25-19-18(20(27)23-21(25)28)24(12-4-2)16(22-19)14-29-17(26)11-10-15-8-6-7-9-15/h15H,3-14H2,1-2H3,(H,23,27,28)