methyl 1-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]isonipecotic acid methyl ester Formula: C18H28N6O4 MolecularWeight: 392.45272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCC(CC3)C(=O)OC

InChI

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