2-methylpropyl 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: 2-methylpropyl 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: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-7-17-10-8-9-14(4)19(17)26-21(28)16(6)27-12-25-22-18(23(27)29)15(5)20(32-22)24(30)31-11-13(2)3/h8-10,12-13,16H,7,11H2,1-6H3,(H,26,28)