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

Systemtic Name: methyl (2S)-1-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylic 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)N2CCCN3CCCC3C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C18H28N6O4/c1-3-4-11-28-17-21-14(19)13-15(22-17)24(18(26)20-13)10-6-9-23-8-5-7-12(23)16(25)27-2/h12H,3-11H2,1-2H3,(H,20,26)(H2,19,21,22)/t12-/m0/s1