5,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,6-dihydro-1H-pyrimidine

Systemtic Name: 5,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,6-dihydro-1H-pyrimidine Openeye Name: 5,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,6-dihydro-1H-pyrimidine CAS Name: 5,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4,6-dihydro-1H-pyrimidine IUPAC Name: 5,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,6-dihydro-1H-pyrimidine Traditional Name: 5,5-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4,6-dihydro-1H-pyrimidine Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

Isomeric SMILES

CC1(CNC(=NC1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

InChI

InChI=1S/C15H19N3O4S/c1-15(2)7-16-14(17-8-15)23-6-11-4-12(18(19)20)3-10-5-21-9-22-13(10)11/h3-4H,5-9H2,1-2H3,(H,16,17)