2,5-dimethyl-N-(2-methyl-4-oxidanylidene-6-propyl-thieno[2,3-d]pyrimidin-3-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-(2-methyl-4-oxidanylidene-6-propyl-thieno[2,3-d]pyrimidin-3-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-(2-methyl-4-oxo-6-propyl-thieno[2,3-d]pyrimidin-3-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-(2-methyl-4-oxo-6-propyl-3-thieno[2,3-d]pyrimidinyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)-4-nitropyrazole-3-carboxamide Traditional Name: N-(4-keto-2-methyl-6-propyl-thieno[2,3-d]pyrimidin-3-yl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N6O4S/c1-5-6-10-7-11-15(27-10)17-9(3)21(16(11)24)19-14(23)13-12(22(25)26)8(2)18-20(13)4/h7H,5-6H2,1-4H3,(H,19,23)