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

Systemtic Name: 2-azanyl-9-[[(2R)-4-diethoxyphosphoryl-1-oxidanyl-butan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1R)-3-diethoxyphosphoryl-1-(hydroxymethyl)propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2R)-4-diethoxyphosphoryl-1-hydroxybutan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2R)-4-diethoxyphosphoryl-1-hydroxybutan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1R)-3-diethoxyphosphoryl-1-methylol-propoxy]methyl]-3H-purin-6-one Formula: C14H24N5O6P MolecularWeight: 389.344021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOP(=O)(CC[C@H](CO)OCN1C=NC2=C1NC(=NC2=O)N)OCC

InChI

InChI=1S/C14H24N5O6P/c1-3-24-26(22,25-4-2)6-5-10(7-20)23-9-19-8-16-11-12(19)17-14(15)18-13(11)21/h8,10,20H,3-7,9H2,1-2H3,(H3,15,17,18,21)/t10-/m1/s1