[(2S,4R,5R)-5-(6-azanyl-8-ethenylsulfanyl-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2S,4R,5R)-5-(6-azanyl-8-ethenylsulfanyl-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2S,4R,5R)-5-(6-amino-8-vinylsulfanyl-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2S,4R,5R)-5-[6-amino-8-(ethenylthio)-9-purinyl]-4-hydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2S,4R,5R)-5-(6-amino-8-ethenylsulfanylpurin-9-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2S,4R,5R)-5-[6-amino-8-(vinylthio)purin-9-yl]-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C12H16N5O6PS MolecularWeight: 389.324101

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Descriptors Computed from Structure

Canonical SMILES:

C=CSC1=NC2=C(N1C3C(CC(O3)COP(=O)(O)O)O)N=CN=C2N

Isomeric SMILES

C=CSC1=NC2=C(N1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N=CN=C2N

InChI

InChI=1S/C12H16N5O6PS/c1-2-25-12-16-8-9(13)14-5-15-10(8)17(12)11-7(18)3-6(23-11)4-22-24(19,20)21/h2,5-7,11,18H,1,3-4H2,(H2,13,14,15)(H2,19,20,21)/t6-,7+,11+/m0/s1