3-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]thio]propanoic acid IUPAC Name: 3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thio]propionic acid Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCC(=O)O)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCC(=O)O)N)NC2=O

InChI

InChI=1S/C15H15N5O3S/c16-12-11-13(19-14(18-12)24-7-6-10(21)22)20(15(23)17-11)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,23)(H,21,22)(H2,16,18,19)