3-[1,3-dibutyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propanoic acid

Systemtic Name: 3-[1,3-dibutyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propanoic acid Openeye Name: 3-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)propanoic acid CAS Name: 3-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)propanoic acid IUPAC Name: 3-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)propanoic acid Traditional Name: 3-(1,3-dibutyl-2,6-diketo-7H-purin-8-yl)propionic acid Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)CCC(=O)O

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)CCC(=O)O

InChI

InChI=1S/C16H24N4O4/c1-3-5-9-19-14-13(17-11(18-14)7-8-12(21)22)15(23)20(16(19)24)10-6-4-2/h3-10H2,1-2H3,(H,17,18)(H,21,22)