5-nitro-2-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C15H8N4O5S MolecularWeight: 356.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C15H8N4O5S/c20-13-12-10(3-4-25-12)16-11(17-13)6-18-14(21)8-2-1-7(19(23)24)5-9(8)15(18)22/h1-5H,6H2,(H,16,17,20)