(2R)-2-[6-azanyl-9-(phenylmethyl)purin-8-yl]sulfanylpropanoate

Systemtic Name: (2R)-2-[6-azanyl-9-(phenylmethyl)purin-8-yl]sulfanylpropanoate Openeye Name: (2R)-2-(6-amino-9-benzyl-purin-8-yl)sulfanylpropanoate CAS Name: (2R)-2-[[6-amino-9-(phenylmethyl)-8-purinyl]thio]propanoate IUPAC Name: (2R)-2-(6-amino-9-benzylpurin-8-yl)sulfanylpropanoate Traditional Name: (2R)-2-[(6-amino-9-benzyl-purin-8-yl)thio]propionate Formula: C15H14N5O2S- MolecularWeight: 328.36896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2N

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2N

InChI

InChI=1S/C15H15N5O2S/c1-9(14(21)22)23-15-19-11-12(16)17-8-18-13(11)20(15)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,21,22)(H2,16,17,18)/p-1/t9-/m1/s1