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

Systemtic Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidine CAS Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-thiophen-2-ylthieno[2,3-d]pyrimidine IUPAC Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine Traditional Name: 2-methyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)thieno[2,3-d]pyrimidine Formula: C20H15N3O4S3 MolecularWeight: 457.5458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C20H15N3O4S3/c1-11-21-19(17-15(9-30-20(17)22-11)16-3-2-4-28-16)29-8-13-6-14(23(24)25)5-12-7-26-10-27-18(12)13/h2-6,9H,7-8,10H2,1H3