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

Systemtic Name: phenethyl 3-[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[1-(4-bromoanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[1-(4-bromoanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-bromoanilino)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C25H22BrN3O4S MolecularWeight: 540.42888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)NC3=CC=C(C=C3)Br)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)NC3=CC=C(C=C3)Br)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H22BrN3O4S/c1-15-20-23(34-21(15)25(32)33-13-12-17-6-4-3-5-7-17)27-14-29(24(20)31)16(2)22(30)28-19-10-8-18(26)9-11-19/h3-11,14,16H,12-13H2,1-2H3,(H,28,30)