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

Systemtic Name: methyl 1-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl]piperidine-2-carboxylate Openeye Name: methyl 1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]piperidine-2-carboxylate CAS Name: 1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]piperidine-2-carboxylate Traditional Name: 1-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl]pipecolinic acid methyl ester Formula: C20H32N6O4 MolecularWeight: 420.50588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCCCC3C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCCCC3C(=O)OC

InChI

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