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

Systemtic Name: ethyl 4-(4-ethanoylpiperazin-1-yl)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-acetyl-1-piperazinyl)-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-acetylpiperazino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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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(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S2/c1-4-30-23(29)20-15(2)19-21(27-12-10-26(11-13-27)16(3)28)24-18(25-22(19)32-20)14-31-17-8-6-5-7-9-17/h5-9H,4,10-14H2,1-3H3