3-[8-cyclopentyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]propanoic acid

Systemtic Name: 3-[8-cyclopentyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]propanoic acid Openeye Name: 3-(7-benzyl-8-cyclopentyl-2,6-dioxo-1-propyl-purin-3-yl)propanoic acid CAS Name: 3-[8-cyclopentyl-2,6-dioxo-7-(phenylmethyl)-1-propyl-3-purinyl]propanoic acid IUPAC Name: 3-(7-benzyl-8-cyclopentyl-2,6-dioxo-1-propylpurin-3-yl)propanoic acid Traditional Name: 3-(7-benzyl-8-cyclopentyl-2,6-diketo-1-propyl-purin-3-yl)propionic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC(=O)O

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC(=O)O

InChI

InChI=1S/C23H28N4O4/c1-2-13-26-22(30)19-21(25(23(26)31)14-12-18(28)29)24-20(17-10-6-7-11-17)27(19)15-16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15H2,1H3,(H,28,29)