(E)-3-[4-(1,3-dimethyl-6-oxidanylidene-2-sulfanylidene-7H-purin-8-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(1,3-dimethyl-6-oxidanylidene-2-sulfanylidene-7H-purin-8-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(1,3-dimethyl-6-oxo-2-thioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(6-keto-1,3-dimethyl-2-thioxo-7H-purin-8-yl)phenyl]acrylic acid Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=S)C)NC(=N2)C3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=S)C)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C16H14N4O3S/c1-19-14-12(15(23)20(2)16(19)24)17-13(18-14)10-6-3-9(4-7-10)5-8-11(21)22/h3-8H,1-2H3,(H,17,18)(H,21,22)/b8-5+