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

Systemtic Name: 3-azanyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3N)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S2/c22-24-20(26)17-16(12-4-2-1-3-5-12)10-31-19(17)23-21(24)32-9-14-7-15(25(27)28)6-13-8-29-11-30-18(13)14/h1-7,10H,8-9,11,22H2