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

Systemtic Name: 3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]propanoate Openeye Name: 3-(7-butyl-2,6-dioxo-3-propyl-purin-8-yl)propanoate CAS Name: 3-(7-butyl-2,6-dioxo-3-propyl-8-purinyl)propanoate IUPAC Name: 3-(7-butyl-2,6-dioxo-3-propylpurin-8-yl)propanoate Traditional Name: 3-(7-butyl-2,6-diketo-3-propyl-purin-8-yl)propionate Formula: C15H21N4O4- MolecularWeight: 321.35164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)[O-]

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)[O-]

InChI

InChI=1S/C15H22N4O4/c1-3-5-9-18-10(6-7-11(20)21)16-13-12(18)14(22)17-15(23)19(13)8-4-2/h3-9H2,1-2H3,(H,20,21)(H,17,22,23)/p-1