3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]propanoate

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]propanoate Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)propanoate CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)propanoate IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)propanoate Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)propionate Formula: C16H23N4O4- MolecularWeight: 335.37822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)[O-]

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)[O-]

InChI

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