8-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine

Systemtic Name: 8-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine Openeye Name: 8-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine CAS Name: 8-[[(6-phenyl-4-pyrimidinyl)thio]methyl]-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine Traditional Name: [8-[[(6-phenylpyrimidin-4-yl)thio]methyl]-4H-1,3-benzodioxin-6-yl]amine Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC=NC(=C3)C4=CC=CC=C4)N

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC=NC(=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C19H17N3O2S/c20-16-6-14-9-23-12-24-19(14)15(7-16)10-25-18-8-17(21-11-22-18)13-4-2-1-3-5-13/h1-8,11H,9-10,12,20H2