ethyl 2,5-dimethyl-4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-[2-(phenylthio)ethyl]-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[4-[2-(phenylthio)ethyl]piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)CCSC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)CCSC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N4O2S2/c1-4-29-23(28)20-16(2)19-21(24-17(3)25-22(19)31-20)27-12-10-26(11-13-27)14-15-30-18-8-6-5-7-9-18/h5-9H,4,10-15H2,1-3H3