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

Systemtic Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-5-phenyl-thieno[2,3-d]pyrimidine Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S/c25-24(26)16-6-14-8-27-12-29-19(14)15(7-16)9-28-20-18-17(13-4-2-1-3-5-13)10-30-21(18)23-11-22-20/h1-7,10-11H,8-9,12H2