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

Systemtic Name: ethyl 5-methyl-4-[4-(phenylcarbonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-benzoyl-1-piperazinyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-benzoylpiperazino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-3-28-21(27)17-14(2)16-18(22-13-23-19(16)29-17)24-9-11-25(12-10-24)20(26)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3