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

Systemtic Name: (2S)-2-[5-(naphthalen-1-ylmethyl)-4-oxidanidyl-6-phenyl-pyrimidin-2-yl]sulfanylpropanoate Openeye Name: (2S)-2-[5-(1-naphthylmethyl)-4-oxido-6-phenyl-pyrimidin-2-yl]sulfanylpropanoate CAS Name: (2S)-2-[[5-(1-naphthalenylmethyl)-4-oxido-6-phenyl-2-pyrimidinyl]thio]propanoate IUPAC Name: (2S)-2-[5-(naphthalen-1-ylmethyl)-4-oxido-6-phenylpyrimidin-2-yl]sulfanylpropanoate Traditional Name: (2S)-2-[[5-(1-naphthylmethyl)-4-oxido-6-phenyl-pyrimidin-2-yl]thio]propionate Formula: C24H18N2O3S-2 MolecularWeight: 414.47632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=C(C(=N1)[O-])CC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NC(=C(C(=N1)[O-])CC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3S/c1-15(23(28)29)30-24-25-21(17-9-3-2-4-10-17)20(22(27)26-24)14-18-12-7-11-16-8-5-6-13-19(16)18/h2-13,15H,14H2,1H3,(H,28,29)(H,25,26,27)/p-2/t15-/m0/s1