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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2COC(=O)C(C)(C)C)C3CCCC3)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2COC(=O)C(C)(C)C)C3CCCC3)N(C1=O)C

InChI

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