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

Systemtic Name: 2-azanyl-9-[[(3R,4S)-1-diethoxyphosphoryl-4-oxidanyl-pentan-3-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1R,2S)-1-(2-diethoxyphosphorylethyl)-2-hydroxy-propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(3R,4S)-1-diethoxyphosphoryl-4-hydroxypentan-3-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(3R,4S)-1-diethoxyphosphoryl-4-hydroxypentan-3-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1R,2S)-1-(2-diethoxyphosphorylethyl)-2-hydroxy-propoxy]methyl]-3H-purin-6-one Formula: C15H26N5O6P MolecularWeight: 403.370601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N5O6P/c1-4-25-27(23,26-5-2)7-6-11(10(3)21)24-9-20-8-17-12-13(20)18-15(16)19-14(12)22/h8,10-11,21H,4-7,9H2,1-3H3,(H3,16,18,19,22)/t10-,11+/m0/s1