2-phenoxyethyl 3-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-phenoxyethyl 3-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 3-[2-(2-ethylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(2-ethylanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-[2-(2-ethylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(2-ethylanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCOC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCOC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O5S/c1-3-18-9-7-8-12-20(18)28-21(30)15-29-16-27-24-22(25(29)31)17(2)23(35-24)26(32)34-14-13-33-19-10-5-4-6-11-19/h4-12,16H,3,13-15H2,1-2H3,(H,28,30)