2-[[2-(methylamino)-6-oxidanylidene-3H-purin-9-yl]methoxy]butyl 2-azanylidenephosphanyl-3-methyl-butanoate

Systemtic Name: 2-[[2-(methylamino)-6-oxidanylidene-3H-purin-9-yl]methoxy]butyl 2-azanylidenephosphanyl-3-methyl-butanoate Openeye Name: 2-[[2-(methylamino)-6-oxo-3H-purin-9-yl]methoxy]butyl 2-iminophosphanyl-3-methyl-butanoate CAS Name: 2-iminophosphinyl-3-methylbutanoic acid 2-[[2-(methylamino)-6-oxo-3H-purin-9-yl]methoxy]butyl ester IUPAC Name: 2-[[2-(methylamino)-6-oxo-3H-purin-9-yl]methoxy]butyl 2-iminophosphanyl-3-methylbutanoate Traditional Name: 2-iminophosphinyl-3-methyl-butyric acid 2-[[6-keto-2-(methylamino)-3H-purin-9-yl]methoxy]butyl ester Formula: C16H25N6O4P MolecularWeight: 396.381261

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C(C(C)C)P=N)OCN1C=NC2=C1NC(=NC2=O)NC

Isomeric SMILES

CCC(COC(=O)C(C(C)C)P=N)OCN1C=NC2=C1NC(=NC2=O)NC

InChI

InChI=1S/C16H25N6O4P/c1-5-10(6-25-15(24)12(27-17)9(2)3)26-8-22-7-19-11-13(22)20-16(18-4)21-14(11)23/h7,9-10,12,17H,5-6,8H2,1-4H3,(H2,18,20,21,23)