[(2S,5R)-5-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]oxolan-2-yl]-ethoxy-phosphinic acid

Systemtic Name: [(2S,5R)-5-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]oxolan-2-yl]-ethoxy-phosphinic acid Openeye Name: [(2S,5R)-5-[(2-amino-6-chloro-purin-9-yl)methyl]tetrahydrofuran-2-yl]-ethoxy-phosphinic acid CAS Name: [(2S,5R)-5-[(2-amino-6-chloro-9-purinyl)methyl]-2-oxolanyl]-ethoxyphosphinic acid IUPAC Name: [(2S,5R)-5-[(2-amino-6-chloropurin-9-yl)methyl]oxolan-2-yl]-ethoxyphosphinic acid Traditional Name: [(2S,5R)-5-[(2-amino-6-chloro-purin-9-yl)methyl]tetrahydrofuran-2-yl]-ethoxy-phosphinic acid Formula: C12H17ClN5O4P MolecularWeight: 361.721241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1CCC(O1)CN2C=NC3=C2N=C(N=C3Cl)N)O

Isomeric SMILES

CCOP(=O)([C@H]1CC[C@@H](O1)CN2C=NC3=C2N=C(N=C3Cl)N)O

InChI

InChI=1S/C12H17ClN5O4P/c1-2-21-23(19,20)8-4-3-7(22-8)5-18-6-15-9-10(13)16-12(14)17-11(9)18/h6-8H,2-5H2,1H3,(H,19,20)(H2,14,16,17)/t7-,8+/m1/s1