3-[6-azanyl-9-(phenylmethyl)purin-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[6-azanyl-9-(phenylmethyl)purin-2-yl]sulfanylpropanoic acid Openeye Name: 3-(6-amino-9-benzyl-purin-2-yl)sulfanylpropanoic acid CAS Name: 3-[[6-amino-9-(phenylmethyl)-2-purinyl]thio]propanoic acid IUPAC Name: 3-(6-amino-9-benzylpurin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(6-amino-9-benzyl-purin-2-yl)thio]propionic acid Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)SCCC(=O)O

InChI

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