2-azanyl-9-[[(2S)-1-oxidanylpropan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(2S)-1-oxidanylpropan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1S)-2-hydroxy-1-methyl-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2S)-1-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2S)-1-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1S)-2-hydroxy-1-methyl-ethoxy]methyl]-3H-purin-6-one Formula: C9H13N5O3 MolecularWeight: 239.23122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

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

InChI

InChI=1S/C9H13N5O3/c1-5(2-15)17-4-14-3-11-6-7(14)12-9(10)13-8(6)16/h3,5,15H,2,4H2,1H3,(H3,10,12,13,16)/t5-/m0/s1