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

Systemtic Name: ethyl 2,5-dimethyl-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[4-(3-thienylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-(3-thiophenylmethyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(3-thenyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)CC4=CSC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)CC4=CSC=C4)C

InChI

InChI=1S/C20H24N4O2S2/c1-4-26-20(25)17-13(2)16-18(21-14(3)22-19(16)28-17)24-8-6-23(7-9-24)11-15-5-10-27-12-15/h5,10,12H,4,6-9,11H2,1-3H3