[8-cyclopentyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [8-cyclopentyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: (8-cyclopentyl-1-methyl-2,6-dioxo-3-propyl-purin-7-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (8-cyclopentyl-1-methyl-2,6-dioxo-3-propyl-7-purinyl)methyl ester IUPAC Name: (8-cyclopentyl-1-methyl-2,6-dioxo-3-propylpurin-7-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (8-cyclopentyl-2,6-diketo-1-methyl-3-propyl-purin-7-yl)methyl ester Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CCCC3)COC(=O)C(C)(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CCCC3)COC(=O)C(C)(C)C

InChI

InChI=1S/C20H30N4O4/c1-6-11-23-16-14(17(25)22(5)19(23)27)24(12-28-18(26)20(2,3)4)15(21-16)13-9-7-8-10-13/h13H,6-12H2,1-5H3