N-(2,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(2,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(2,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(2,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-2-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(4-keto-2,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide Formula: C13H12N6O4S MolecularWeight: 348.33718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=C(C=NN3C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=C(C=NN3C)[N+](=O)[O-])C

InChI

InChI=1S/C13H12N6O4S/c1-6-4-8-12(24-6)15-7(2)18(13(8)21)16-11(20)10-9(19(22)23)5-14-17(10)3/h4-5H,1-3H3,(H,16,20)