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

Systemtic Name: 2-azanyl-9-[[(2S)-2-chloranyl-2-phosphonato-oxolan-3-yl]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(2S)-2-chloro-2-phosphonato-tetrahydrofuran-3-yl]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2S)-2-chloro-2-phosphonato-3-oxolanyl]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2S)-2-chloro-2-phosphonatooxolan-3-yl]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(2S)-2-chloro-2-phosphonato-tetrahydrofuran-3-yl]methyl]-3H-purin-6-one Formula: C10H11ClN5O5P-2 MolecularWeight: 347.651601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClN5O5P/c11-10(22(18,19)20)5(1-2-21-10)3-16-4-13-6-7(16)14-9(12)15-8(6)17/h4-5H,1-3H2,(H2,18,19,20)(H3,12,14,15,17)/p-2/t5?,10-/m0/s1