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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-phenyl-3-prop-2-enyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-phenyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-6-phenyl-3-prop-2-enyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-phenyl-3-prop-2-enylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-6-phenyl-thieno[3,2-d]pyrimidin-4-one Formula: C24H19N3O5S2 MolecularWeight: 493.55476

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(S2)C3=CC=CC=C3)N=C1SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(S2)C3=CC=CC=C3)N=C1SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C24H19N3O5S2/c1-2-8-26-23(28)22-19(11-20(34-22)15-6-4-3-5-7-15)25-24(26)33-13-17-10-18(27(29)30)9-16-12-31-14-32-21(16)17/h2-7,9-11H,1,8,12-14H2