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

Systemtic Name: methyl 1-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]piperidine-3-carboxylate Openeye Name: methyl 1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperidine-3-carboxylate CAS Name: 1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperidine-3-carboxylate Traditional Name: 1-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]nipecotic acid methyl ester Formula: C19H30N6O4 MolecularWeight: 406.4793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N6O4/c1-3-4-11-29-18-22-15(20)14-16(23-18)25(19(27)21-14)10-6-9-24-8-5-7-13(12-24)17(26)28-2/h13H,3-12H2,1-2H3,(H,21,27)(H2,20,22,23)