[(3R)-3-[[2-azanyl-6-(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]-4-phenylmethoxy-butyl]phosphonic acid

Systemtic Name: [(3R)-3-[[2-azanyl-6-(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]-4-phenylmethoxy-butyl]phosphonic acid Openeye Name: [(3R)-3-[[2-amino-6-(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]-4-benzyloxy-butyl]phosphonic acid CAS Name: [(3R)-3-[[2-amino-6-(2-hydroxyethylthio)-9-purinyl]methoxy]-4-phenylmethoxybutyl]phosphonic acid IUPAC Name: [(3R)-3-[[2-amino-6-(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]-4-phenylmethoxybutyl]phosphonic acid Traditional Name: [(3R)-3-[[2-amino-6-(2-hydroxyethylthio)purin-9-yl]methoxy]-4-benzoxy-butyl]phosphonic acid Formula: C19H26N5O6PS MolecularWeight: 483.478401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CCP(=O)(O)O)OCN2C=NC3=C2N=C(N=C3SCCO)N

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H](CCP(=O)(O)O)OCN2C=NC3=C2N=C(N=C3SCCO)N

InChI

InChI=1S/C19H26N5O6PS/c20-19-22-17-16(18(23-19)32-9-7-25)21-12-24(17)13-30-15(6-8-31(26,27)28)11-29-10-14-4-2-1-3-5-14/h1-5,12,15,25H,6-11,13H2,(H2,20,22,23)(H2,26,27,28)/t15-/m1/s1