sodium 3-[(4aR,6R,7R,7aS)-2-oxidanidyl-7-oxidanyl-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromanyl-6-phenyl-5H-imidazo[1,2-a]purin-9-one hydrate

Systemtic Name: sodium 3-[(4aR,6R,7R,7aS)-2-oxidanidyl-7-oxidanyl-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromanyl-6-phenyl-5H-imidazo[1,2-a]purin-9-one hydrate Openeye Name: sodium 3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-thioxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one hydrate CAS Name: sodium 3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one hydrate IUPAC Name: sodium 3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one hydrate Traditional Name: sodium 3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-thioxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one hydrate Formula: C18H16BrN5NaO7PS MolecularWeight: 580.281471

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(O2)N3C4=C(C(=O)N5C=C(NC5=N4)C6=CC=CC=C6)N=C3Br)O)OP(=S)(O1)[O-].O.[Na+]

Isomeric SMILES

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N5C=C(NC5=N4)C6=CC=CC=C6)N=C3Br)O)OP(=S)(O1)[O-].O.[Na+]

InChI

InChI=1S/C18H15BrN5O6PS.Na.H2O/c19-17-21-11-14(24(17)16-12(25)13-10(29-16)7-28-31(27,32)30-13)22-18-20-9(6-23(18)15(11)26)8-4-2-1-3-5-8;;/h1-6,10,12-13,16,25H,7H2,(H,20,22)(H,27,32);;1H2/q;+1;/p-1/t10-,12-,13-,16-,31?;;/m1../s1