ethyl 5-methyl-3-[1-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-3-[1-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-3-[1-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)-1-methyl-ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C(C)C(=O)C3=CC4=C(C=C3)OC(C(=O)N4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C(C)C(=O)C3=CC4=C(C=C3)OC(C(=O)N4)C)C

InChI

InChI=1S/C22H21N3O6S/c1-5-30-22(29)18-10(2)16-20(32-18)23-9-25(21(16)28)11(3)17(26)13-6-7-15-14(8-13)24-19(27)12(4)31-15/h6-9,11-12H,5H2,1-4H3,(H,24,27)