2-[2-(1,3-benzodioxol-5-yloxy)ethylsulfanyl]-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yloxy)ethylsulfanyl]-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzodioxol-5-yloxy)ethylsulfanyl]-6-phenyl-pyrimidin-4-olate CAS Name: 2-[2-(1,3-benzodioxol-5-yloxy)ethylthio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzodioxol-5-yloxy)ethylsulfanyl]-6-phenylpyrimidin-4-olate Traditional Name: 2-[2-(1,3-benzodioxol-5-yloxy)ethylthio]-6-phenyl-pyrimidin-4-olate Formula: C19H15N2O4S- MolecularWeight: 367.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCCSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCCSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H16N2O4S/c22-18-11-15(13-4-2-1-3-5-13)20-19(21-18)26-9-8-23-14-6-7-16-17(10-14)25-12-24-16/h1-7,10-11H,8-9,12H2,(H,20,21,22)/p-1