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

Systemtic Name: 2-methoxyethyl 5-methyl-3-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-3-[1-methyl-2-(2-methylanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[1-(2-methylanilino)-1-oxopropan-2-yl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-3-[1-(2-methylanilino)-1-oxopropan-2-yl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-1-methyl-2-(o-toluidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCOC)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCOC)C

InChI

InChI=1S/C21H23N3O5S/c1-12-7-5-6-8-15(12)23-18(25)14(3)24-11-22-19-16(20(24)26)13(2)17(30-19)21(27)29-10-9-28-4/h5-8,11,14H,9-10H2,1-4H3,(H,23,25)