7-tert-butyl-1,3-dimethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-1,3-dimethyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H23N5O6S/c1-21(2,3)19-22-16-14(18(27)25(5)20(28)24(16)4)17(23-19)33-9-12-7-13(26(29)30)6-11-8-31-10-32-15(11)12/h6-7H,8-10H2,1-5H3