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

Systemtic Name: 5-methyl-N-(3-methylphenyl)-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-3-(2-morpholino-2-oxo-ethyl)-N-(m-tolyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-(3-methylphenyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-N-(3-methylphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-3-(2-keto-2-morpholino-ethyl)-5-methyl-N-(m-tolyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-13-4-3-5-15(10-13)23-19(27)18-14(2)17-20(30-18)22-12-25(21(17)28)11-16(26)24-6-8-29-9-7-24/h3-5,10,12H,6-9,11H2,1-2H3,(H,23,27)