5-methyl-2-(4-methylphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-2-(4-methylphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-(p-tolyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(4-methylphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-2-(4-methylphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-2-(p-tolyl)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C24H18N3O6S2- MolecularWeight: 508.54622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=N2)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=N2)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C24H19N3O6S2/c1-12-3-5-14(6-4-12)21-25-22(18-13(2)20(24(28)29)35-23(18)26-21)34-10-16-8-17(27(30)31)7-15-9-32-11-33-19(15)16/h3-8H,9-11H2,1-2H3,(H,28,29)/p-1