(E)-3-[(6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]prop-2-enoic acid

Systemtic Name: (E)-3-[(6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]prop-2-enoic acid Openeye Name: (E)-3-[(6-oxo-3,7-dihydropurin-8-yl)sulfanyl]prop-2-enoic acid CAS Name: (E)-3-[(6-oxo-3,7-dihydropurin-8-yl)thio]-2-propenoic acid IUPAC Name: (E)-3-[(6-oxo-3,7-dihydropurin-8-yl)sulfanyl]prop-2-enoic acid Traditional Name: (E)-3-[(6-keto-3,7-dihydropurin-8-yl)thio]acrylic acid Formula: C8H6N4O3S MolecularWeight: 238.22324

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N=C(N2)SC=CC(=O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N=C(N2)S/C=C/C(=O)O

InChI

InChI=1S/C8H6N4O3S/c13-4(14)1-2-16-8-11-5-6(12-8)9-3-10-7(5)15/h1-3H,(H,13,14)(H2,9,10,11,12,15)/b2-1+