2-azanyl-9-[[(2S)-2-oxidanyl-2-phosphonato-oxolan-3-yl]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(2S)-2-oxidanyl-2-phosphonato-oxolan-3-yl]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(2S)-2-hydroxy-2-phosphonato-tetrahydrofuran-3-yl]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2S)-2-hydroxy-2-phosphonato-3-oxolanyl]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2S)-2-hydroxy-2-phosphonatooxolan-3-yl]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(2S)-2-hydroxy-2-phosphonato-tetrahydrofuran-3-yl]methyl]-3H-purin-6-one Formula: C10H12N5O6P-2 MolecularWeight: 329.205941

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C1CN2C=NC3=C2NC(=NC3=O)N)(O)P(=O)([O-])[O-]

Isomeric SMILES

C1CO[C@](C1CN2C=NC3=C2NC(=NC3=O)N)(O)P(=O)([O-])[O-]

InChI

InChI=1S/C10H14N5O6P/c11-9-13-7-6(8(16)14-9)12-4-15(7)3-5-1-2-21-10(5,17)22(18,19)20/h4-5,17H,1-3H2,(H2,18,19,20)(H3,11,13,14,16)/p-2/t5?,10-/m0/s1