3-[6-azanyl-8-(phenylmethylsulfanyl)purin-3-yl]propane-1,2-diol

Systemtic Name: 3-[6-azanyl-8-(phenylmethylsulfanyl)purin-3-yl]propane-1,2-diol Openeye Name: 3-(6-amino-8-benzylsulfanyl-purin-3-yl)propane-1,2-diol CAS Name: 3-[6-amino-8-(phenylmethylthio)-3-purinyl]propane-1,2-diol IUPAC Name: 3-(6-amino-8-benzylsulfanylpurin-3-yl)propane-1,2-diol Traditional Name: 3-[6-amino-8-(benzylthio)purin-3-yl]propane-1,2-diol Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(N=CN(C3=N2)CC(CO)O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(N=CN(C3=N2)CC(CO)O)N

InChI

InChI=1S/C15H17N5O2S/c16-13-12-14(20(9-17-13)6-11(22)7-21)19-15(18-12)23-8-10-4-2-1-3-5-10/h1-5,9,11,21-22H,6-8,16H2