(2S)-2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]propanoic acid

Systemtic Name: (2S)-2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]propanoic acid Openeye Name: (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]propanoic acid CAS Name: (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]propanoic acid IUPAC Name: (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]propanoic acid Traditional Name: (2S)-2-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethylamino]propionic acid Formula: C14H22N6O4 MolecularWeight: 338.36228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNC(C)C(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN[C@@H](C)C(=O)O

InChI

InChI=1S/C14H22N6O4/c1-3-4-7-24-13-18-10(15)9-11(19-13)20(14(23)17-9)6-5-16-8(2)12(21)22/h8,16H,3-7H2,1-2H3,(H,17,23)(H,21,22)(H2,15,18,19)/t8-/m0/s1