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

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C17H12N4O5S/c1-7-8(2)27-15-13(7)14(22)18-12(19-15)6-20-16(23)10-4-3-9(21(25)26)5-11(10)17(20)24/h3-5H,6H2,1-2H3,(H,18,19,22)