5,7-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 5,7-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 5,7-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 5,7-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 5,7-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 5,7-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)N=C(N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)N=C(N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

InChI

InChI=1S/C18H16N4O5S/c1-9-3-10(2)19-16-14(9)17(23)21-18(20-16)28-7-12-5-13(22(24)25)4-11-6-26-8-27-15(11)12/h3-5H,6-8H2,1-2H3,(H,19,20,21,23)