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

Systemtic Name: methyl (2S)-1-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCCC3C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C17H26N6O4/c1-3-4-10-27-16-20-13(18)12-14(21-16)23(17(25)19-12)9-8-22-7-5-6-11(22)15(24)26-2/h11H,3-10H2,1-2H3,(H,19,25)(H2,18,20,21)/t11-/m0/s1