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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yloxy)ethylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yloxy)ethylsulfanyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[2-(1,3-benzodioxol-5-yloxy)ethylthio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(1,3-benzodioxol-5-yloxy)ethylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[2-(1,3-benzodioxol-5-yloxy)ethylthio]-6-phenyl-1H-pyrimidin-4-one Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCCSC3=NC(=O)C=C(N3)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)