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

Systemtic Name: methyl (2S)-2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]propanoate Openeye Name: methyl (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]propanoate CAS Name: (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]propanoate Traditional Name: (2S)-2-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethylamino]propionic acid methyl ester Formula: C15H24N6O4 MolecularWeight: 352.38886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N6O4/c1-4-5-8-25-14-19-11(16)10-12(20-14)21(15(23)18-10)7-6-17-9(2)13(22)24-3/h9,17H,4-8H2,1-3H3,(H,18,23)(H2,16,19,20)/t9-/m0/s1