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

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2S/c1-3-27-20(26)17-13(2)16-18(22-12-23-19(16)28-17)25-9-7-24(8-10-25)15-6-4-5-14(21)11-15/h4-6,11-12H,3,7-10H2,1-2H3