2-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C23H16N4O5S MolecularWeight: 460.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C23H16N4O5S/c1-11-3-5-13(6-4-11)18-12(2)33-21-19(18)20(28)24-17(25-21)10-26-22(29)15-8-7-14(27(31)32)9-16(15)23(26)30/h3-9H,10H2,1-2H3,(H,24,25,28)