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

Systemtic Name: methyl (2S)-2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]butanoate Openeye Name: methyl (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]butanoate CAS Name: (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]butanoate Traditional Name: (2S)-2-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethylamino]butyric acid methyl ester Formula: C16H26N6O4 MolecularWeight: 366.41544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N6O4/c1-4-6-9-26-15-20-12(17)11-13(21-15)22(16(24)19-11)8-7-18-10(5-2)14(23)25-3/h10,18H,4-9H2,1-3H3,(H,19,24)(H2,17,20,21)/t10-/m0/s1