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

Systemtic Name: methyl 2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]-2-methyl-propanoate Openeye Name: methyl 2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]-2-methyl-propanoate CAS Name: 2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]-2-methylpropanoate Traditional Name: 2-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethylamino]-2-methyl-propionic 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(C)(C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H26N6O4/c1-5-6-9-26-14-20-11(17)10-12(21-14)22(15(24)19-10)8-7-18-16(2,3)13(23)25-4/h18H,5-9H2,1-4H3,(H,19,24)(H2,17,20,21)