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

Systemtic Name: ethyl 5-methyl-4-(4-prop-2-ynylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(4-prop-2-ynylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-prop-2-ynyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-prop-2-ynylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-propargylpiperazino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)CC#C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)CC#C)C

InChI

InChI=1S/C17H20N4O2S/c1-4-6-20-7-9-21(10-8-20)15-13-12(3)14(17(22)23-5-2)24-16(13)19-11-18-15/h1,11H,5-10H2,2-3H3