3-[1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 3-[1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[2-(2,6-diethylanilino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-[1-(2,6-diethylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-[1-(2,6-diethylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-[2-(2,6-diethylanilino)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)N)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)N)C

InChI

InChI=1S/C21H24N4O3S/c1-5-13-8-7-9-14(6-2)16(13)24-19(27)12(4)25-10-23-20-15(21(25)28)11(3)17(29-20)18(22)26/h7-10,12H,5-6H2,1-4H3,(H2,22,26)(H,24,27)