3-[6-azanyl-9-(phenylmethyl)purin-8-yl]sulfanylpropanoic acid

Systemtic Name: 3-[6-azanyl-9-(phenylmethyl)purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-(6-amino-9-benzyl-purin-8-yl)sulfanylpropanoic acid CAS Name: 3-[[6-amino-9-(phenylmethyl)-8-purinyl]thio]propanoic acid IUPAC Name: 3-(6-amino-9-benzylpurin-8-yl)sulfanylpropanoic acid Traditional Name: 3-[(6-amino-9-benzyl-purin-8-yl)thio]propionic acid Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCCC(=O)O

InChI

InChI=1S/C15H15N5O2S/c16-13-12-14(18-9-17-13)20(8-10-4-2-1-3-5-10)15(19-12)23-7-6-11(21)22/h1-5,9H,6-8H2,(H,21,22)(H2,16,17,18)