1-(4-fluorophenyl)-N-methyl-N-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-methyl-N-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-methyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-N-methyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-N-methyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C22H17FN6O2S MolecularWeight: 448.472783

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=C(N1)C=CS2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

CN(CC1=NC(=O)C2=C(N1)C=CS2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

InChI=1S/C22H17FN6O2S/c1-27(13-18-25-17-8-11-32-19(17)20(30)26-18)22(31)16-12-24-29(15-6-4-14(23)5-7-15)21(16)28-9-2-3-10-28/h2-12H,13H2,1H3,(H,25,26,30)