2-azanyl-9-[(4-diethoxyphosphoryl-1-methoxy-butan-2-yl)oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(4-diethoxyphosphoryl-1-methoxy-butan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[3-diethoxyphosphoryl-1-(methoxymethyl)propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(4-diethoxyphosphoryl-1-methoxybutan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(4-diethoxyphosphoryl-1-methoxybutan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[3-diethoxyphosphoryl-1-(methoxymethyl)propoxy]methyl]-3H-purin-6-one Formula: C15H26N5O6P MolecularWeight: 403.370601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(COC)OCN1C=NC2=C1NC(=NC2=O)N)OCC

Isomeric SMILES

CCOP(=O)(CCC(COC)OCN1C=NC2=C1NC(=NC2=O)N)OCC

InChI

InChI=1S/C15H26N5O6P/c1-4-25-27(22,26-5-2)7-6-11(8-23-3)24-10-20-9-17-12-13(20)18-15(16)19-14(12)21/h9,11H,4-8,10H2,1-3H3,(H3,16,18,19,21)