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

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(benzylamino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-[(phenylmethyl)amino]ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[2-(benzylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(benzylamino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S/c1-17-21-23(33-22(17)25(31)32-13-12-18-8-4-2-5-9-18)27-16-28(24(21)30)15-20(29)26-14-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,26,29)