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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoate Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoate CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanoate IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoate Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propionate Formula: C17H25N4O4- MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)[O-]

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)[O-]

InChI

InChI=1S/C17H26N4O4/c1-3-5-7-11-20-12(8-9-13(22)23)18-15-14(20)16(24)19-17(25)21(15)10-6-4-2/h3-11H2,1-2H3,(H,22,23)(H,19,24,25)/p-1