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

Systemtic Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-6-phenyl-thieno[2,3-d]pyrimidine Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C22H17N3O4S2/c1-13-23-21(18-9-19(31-22(18)24-13)14-5-3-2-4-6-14)30-11-16-8-17(25(26)27)7-15-10-28-12-29-20(15)16/h2-9H,10-12H2,1H3