methyl 2-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-methyl-amino]ethanoate Openeye Name: methyl 2-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-methyl-amino]acetate CAS Name: 2-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-methylamino]acetate Traditional Name: 2-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl-methyl-amino]acetic acid methyl ester Formula: C17H28N6O4 MolecularWeight: 380.44202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(C)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(C)CC(=O)OC

InChI

InChI=1S/C17H28N6O4/c1-4-5-10-27-16-20-14(18)13-15(21-16)23(17(25)19-13)9-7-6-8-22(2)11-12(24)26-3/h4-11H2,1-3H3,(H,19,25)(H2,18,20,21)