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

Systemtic Name: 5-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H17N3O5S/c1-13-18-21(31-20(13)14-5-3-2-4-6-14)23-11-24(22(18)26)9-15-7-17(25(27)28)8-16-10-29-12-30-19(15)16/h2-8,11H,9-10,12H2,1H3