methyl (2S)-2-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylamino]propanoate

Systemtic Name: methyl (2S)-2-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylamino]propanoate Openeye Name: methyl (2S)-2-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]propanoate CAS Name: (2S)-2-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]propanoate Traditional Name: (2S)-2-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butylamino]propionic acid methyl ester Formula: C17H28N6O4 MolecularWeight: 380.44202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCNC(C)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN[C@@H](C)C(=O)OC

InChI

InChI=1S/C17H28N6O4/c1-4-5-10-27-16-21-13(18)12-14(22-16)23(17(25)20-12)9-7-6-8-19-11(2)15(24)26-3/h11,19H,4-10H2,1-3H3,(H,20,25)(H2,18,21,22)/t11-/m0/s1