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

Systemtic Name: ethyl 3-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC)C)C

InChI

InChI=1S/C22H25N3O4S/c1-6-15-10-8-9-12(3)17(15)24-19(26)14(5)25-11-23-20-16(21(25)27)13(4)18(30-20)22(28)29-7-2/h8-11,14H,6-7H2,1-5H3,(H,24,26)