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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

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