[(2R,3S,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-morpholin-4-yl-phosphinic acid

Systemtic Name: [(2R,3S,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-morpholin-4-yl-phosphinic acid Openeye Name: [(2R,3S,5R)-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-morpholino-phosphinic acid CAS Name: [(2R,3S,5R)-5-(6-amino-8-bromo-9-purinyl)-3-hydroxy-2-oxolanyl]methoxy-(4-morpholinyl)phosphinic acid IUPAC Name: [(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid Traditional Name: [(2R,3S,5R)-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-morpholino-phosphinic acid Formula: C14H20BrN6O6P MolecularWeight: 479.222961

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1P(=O)(O)OCC2C(CC(O2)N3C4=C(C(=NC=N4)N)N=C3Br)O

Isomeric SMILES

C1COCCN1P(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3Br)O

InChI

InChI=1S/C14H20BrN6O6P/c15-14-19-11-12(16)17-7-18-13(11)21(14)10-5-8(22)9(27-10)6-26-28(23,24)20-1-3-25-4-2-20/h7-10,22H,1-6H2,(H,23,24)(H2,16,17,18)/t8-,9+,10+/m0/s1