ethyl 5-methyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-methyl-1-piperazinyl)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylpiperazin-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-methylpiperazino)-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCN(CC4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCN(CC4)C)C

InChI

InChI=1S/C22H26N4O2S2/c1-4-28-22(27)19-15(2)18-20(26-12-10-25(3)11-13-26)23-17(24-21(18)30-19)14-29-16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3