ethyl 5-azanyl-4-[5-(4-bromophenyl)-1,3-oxazol-4-yl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-[5-(4-bromophenyl)-1,3-oxazol-4-yl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-[5-(4-bromophenyl)oxazol-4-yl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-[5-(4-bromophenyl)-4-oxazolyl]-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-[5-(4-bromophenyl)-1,3-oxazol-4-yl]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-[5-(4-bromophenyl)oxazol-4-yl]-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H15BrN4O3S2 MolecularWeight: 491.3814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=C(OC=N3)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=C(OC=N3)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C19H15BrN4O3S2/c1-3-26-18(25)16-12(21)11-13(23-19(28-2)24-17(11)29-16)14-15(27-8-22-14)9-4-6-10(20)7-5-9/h4-8H,3,21H2,1-2H3