2-[5-(naphthalen-1-ylmethyl)-4-oxidanidyl-6-phenyl-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[5-(naphthalen-1-ylmethyl)-4-oxidanidyl-6-phenyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[5-(1-naphthylmethyl)-4-oxido-6-phenyl-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-(1-naphthalenylmethyl)-4-oxido-6-phenyl-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[5-(naphthalen-1-ylmethyl)-4-oxido-6-phenylpyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(1-naphthylmethyl)-4-oxido-6-phenyl-pyrimidin-2-yl]thio]acetate Formula: C23H16N2O3S-2 MolecularWeight: 400.44974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)[O-])[O-])CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)[O-])[O-])CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H18N2O3S/c26-20(27)14-29-23-24-21(16-8-2-1-3-9-16)19(22(28)25-23)13-17-11-6-10-15-7-4-5-12-18(15)17/h1-12H,13-14H2,(H,26,27)(H,24,25,28)/p-2