[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-sulfanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-sulfanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-sulfanyl-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-mercapto-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-sulfanyloxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [(2R,3R,4S,5R)-5-adenin-9-yl-3-hydroxy-4-mercapto-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C10H15N5O9P2S MolecularWeight: 443.266722

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)S

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)S

InChI

InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27)6(16)4(23-10)1-22-26(20,21)24-25(17,18)19/h2-4,6-7,10,16,27H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t4-,6-,7+,10-/m1/s1