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

Systemtic Name: ethyl 5-methyl-4-[4-(2-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[4-(2-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(2-nitrophenyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[4-(2-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(2-nitrophenyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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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[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O4S/c1-3-29-20(26)17-13(2)16-18(21-12-22-19(16)30-17)24-10-8-23(9-11-24)14-6-4-5-7-15(14)25(27)28/h4-7,12H,3,8-11H2,1-2H3