2-(6-azanyl-9-phenethyl-purin-8-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-azanyl-9-phenethyl-purin-8-yl)sulfanylethanoic acid Openeye Name: 2-(6-amino-9-phenethyl-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(6-amino-9-phenethyl-8-purinyl)thio]acetic acid IUPAC Name: 2-(6-amino-9-phenethylpurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(6-amino-9-phenethyl-purin-8-yl)thio]acetic acid Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2SCC(=O)O

InChI

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