1-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]nipecotic acid Formula: C18H28N6O4 MolecularWeight: 392.45272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCCC(C3)C(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H28N6O4/c1-2-3-10-28-17-21-14(19)13-15(22-17)24(18(27)20-13)9-5-8-23-7-4-6-12(11-23)16(25)26/h12H,2-11H2,1H3,(H,20,27)(H,25,26)(H2,19,21,22)