8-[(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine

Systemtic Name: 8-[(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine Openeye Name: 8-[(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine CAS Name: 8-[[(2-methyl-6-phenyl-4-pyrimidinyl)thio]methyl]-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxin-6-amine Traditional Name: [8-[[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]methyl]-4H-1,3-benzodioxin-6-yl]amine Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC2=C3C(=CC(=C2)N)COCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCC2=C3C(=CC(=C2)N)COCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S/c1-13-22-18(14-5-3-2-4-6-14)9-19(23-13)26-11-16-8-17(21)7-15-10-24-12-25-20(15)16/h2-9H,10-12,21H2,1H3