2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-phenyl-pyrimidine

Systemtic Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-phenyl-pyrimidine Openeye Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-phenyl-pyrimidine CAS Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-6-phenylpyrimidine IUPAC Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-phenylpyrimidine Traditional Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-6-phenyl-pyrimidine Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O4S/c1-13-21-18(14-5-3-2-4-6-14)9-19(22-13)28-11-16-8-17(23(24)25)7-15-10-26-12-27-20(15)16/h2-9H,10-12H2,1H3