[(2S,4R,5R)-5-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-bromanyl-oxolan-2-yl]phosphonic acid

Systemtic Name: [(2S,4R,5R)-5-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-bromanyl-oxolan-2-yl]phosphonic acid Openeye Name: [(2S,4R,5R)-5-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-bromo-tetrahydrofuran-2-yl]phosphonic acid CAS Name: [(2S,4R,5R)-5-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-bromo-2-oxolanyl]phosphonic acid IUPAC Name: [(2S,4R,5R)-5-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-bromooxolan-2-yl]phosphonic acid Traditional Name: [(2S,4R,5R)-5-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-bromo-tetrahydrofuran-2-yl]phosphonic acid Formula: C10H13BrN5O5P MolecularWeight: 394.118481

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1P(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N)Br

Isomeric SMILES

C1[C@H]([C@H](O[C@H]1P(=O)(O)O)CN2C=NC3=C2NC(=NC3=O)N)Br

InChI

InChI=1S/C10H13BrN5O5P/c11-4-1-6(22(18,19)20)21-5(4)2-16-3-13-7-8(16)14-10(12)15-9(7)17/h3-6H,1-2H2,(H2,18,19,20)(H3,12,14,15,17)/t4-,5-,6+/m1/s1