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

Systemtic Name: 4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine Openeye Name: 4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine CAS Name: 4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimidine IUPAC Name: 4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine Traditional Name: 4,5,6-trimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimidine Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

InChI

InChI=1S/C16H17N3O4S/c1-9-10(2)17-16(18-11(9)3)24-7-13-5-14(19(20)21)4-12-6-22-8-23-15(12)13/h4-5H,6-8H2,1-3H3