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

Systemtic Name: 2,4-dimethyl-6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine Openeye Name: 2,4-dimethyl-6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine CAS Name: 2,4-dimethyl-6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimidine IUPAC Name: 2,4-dimethyl-6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine Traditional Name: 2,4-dimethyl-6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimidine Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S/c1-9-3-14(17-10(2)16-9)23-7-12-5-13(18(19)20)4-11-6-21-8-22-15(11)12/h3-5H,6-8H2,1-2H3