5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxidanylidene-6-propyl-thieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide

Systemtic Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxidanylidene-6-propyl-thieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide Openeye Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-6-propyl-thieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide CAS Name: 5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(2-methyl-4-oxo-6-propyl-3-thieno[2,3-d]pyrimidinyl)-2-furancarboxamide IUPAC Name: 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide Traditional Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-keto-2-methyl-6-propyl-thieno[2,3-d]pyrimidin-3-yl)-2-furamide Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=CC=C(O3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C)C

Isomeric SMILES

CCCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=CC=C(O3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H22N6O5S/c1-5-6-15-9-16-20(33-15)22-13(4)26(21(16)29)24-19(28)17-8-7-14(32-17)10-25-12(3)18(27(30)31)11(2)23-25/h7-9H,5-6,10H2,1-4H3,(H,24,28)