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

Systemtic Name: 5-nitro-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H12N4O5S MolecularWeight: 432.40878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O5S/c26-18-17-15(11-4-2-1-3-5-11)10-31-19(17)23-16(22-18)9-24-20(27)13-7-6-12(25(29)30)8-14(13)21(24)28/h1-8,10H,9H2,(H,22,23,26)