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

Systemtic Name: methyl (2S)-6-azanyl-2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]hexanoate CAS Name: (2S)-6-amino-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]hexanoate Traditional Name: (2S)-6-amino-2-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethylamino]hexanoic acid methyl ester Formula: C18H31N7O4 MolecularWeight: 409.48324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N7O4/c1-3-4-11-29-17-23-14(20)13-15(24-17)25(18(27)22-13)10-9-21-12(16(26)28-2)7-5-6-8-19/h12,21H,3-11,19H2,1-2H3,(H,22,27)(H2,20,23,24)/t12-/m0/s1