ethyl 5-azanyl-4-[3-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-[3-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-[3-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-[3-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]phenyl]-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-[3-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]phenyl]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-[3-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]phenyl]-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C28H27N5O3S2 MolecularWeight: 545.67568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OCCC4=C(NC(=N4)C5=CC=CC=C5)C)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OCCC4=C(NC(=N4)C5=CC=CC=C5)C)N

InChI

InChI=1S/C28H27N5O3S2/c1-4-35-27(34)24-22(29)21-23(32-28(37-3)33-26(21)38-24)18-11-8-12-19(15-18)36-14-13-20-16(2)30-25(31-20)17-9-6-5-7-10-17/h5-12,15H,4,13-14,29H2,1-3H3,(H,30,31)