N-(3-fluoranyl-4-methyl-phenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-5-methyl-3-(2-morpholino-2-oxo-ethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-5-methyl-3-[2-(4-morpholinyl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-keto-3-(2-keto-2-morpholino-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCOCC4)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCOCC4)C)F

InChI

InChI=1S/C21H21FN4O4S/c1-12-3-4-14(9-15(12)22)24-19(28)18-13(2)17-20(31-18)23-11-26(21(17)29)10-16(27)25-5-7-30-8-6-25/h3-4,9,11H,5-8,10H2,1-2H3,(H,24,28)