1-[5-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)pentyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)pentyl]piperidine-4-carboxylic acid Openeye Name: 1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]piperidine-4-carboxylic acid CAS Name: 1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]piperidine-4-carboxylic acid Traditional Name: 1-[5-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)pentyl]isonipecotic acid Formula: C20H32N6O4 MolecularWeight: 420.50588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCN3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCN3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H32N6O4/c1-2-3-13-30-19-23-16(21)15-17(24-19)26(20(29)22-15)10-6-4-5-9-25-11-7-14(8-12-25)18(27)28/h14H,2-13H2,1H3,(H,22,29)(H,27,28)(H2,21,23,24)