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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-cyclopentylpropanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic 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-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4/c1-3-4-11-23-17-16(18(25)21-19(23)26)22(2)14(20-17)12-27-15(24)10-9-13-7-5-6-8-13/h13H,3-12H2,1-2H3,(H,21,25,26)