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

Systemtic Name: 3-[8-cyclopentyl-2,6-bis(oxidanylidene)-7-propyl-purin-3-yl]propanoic acid Openeye Name: 3-(8-cyclopentyl-2,6-dioxo-7-propyl-purin-3-yl)propanoic acid CAS Name: 3-(8-cyclopentyl-2,6-dioxo-7-propyl-3-purinyl)propanoic acid IUPAC Name: 3-(8-cyclopentyl-2,6-dioxo-7-propylpurin-3-yl)propanoic acid Traditional Name: 3-(8-cyclopentyl-2,6-diketo-7-propyl-purin-3-yl)propionic acid Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)NC(=O)N2CCC(=O)O)C3CCCC3

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)NC(=O)N2CCC(=O)O)C3CCCC3

InChI

InChI=1S/C16H22N4O4/c1-2-8-19-12-14(17-13(19)10-5-3-4-6-10)20(9-7-11(21)22)16(24)18-15(12)23/h10H,2-9H2,1H3,(H,21,22)(H,18,23,24)