ethyl 5-azanyl-4-[3-(2-chloroethyloxy)phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-[3-(2-chloroethyloxy)phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-[3-(2-chloroethoxy)phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-[3-(2-chloroethoxy)phenyl]-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-[3-(2-chloroethoxy)phenyl]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-[3-(2-chloroethoxy)phenyl]-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H18ClN3O3S2 MolecularWeight: 423.93682

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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)OCCCl)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OCCCl)N

InChI

InChI=1S/C18H18ClN3O3S2/c1-3-24-17(23)15-13(20)12-14(21-18(26-2)22-16(12)27-15)10-5-4-6-11(9-10)25-8-7-19/h4-6,9H,3,7-8,20H2,1-2H3