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

Systemtic Name: ethyl 2,5-dimethyl-4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[4-(6-nitro-3-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(6-nitro-3-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O4S/c1-4-30-20(27)17-12(2)16-18(22-13(3)23-19(16)31-17)25-9-7-24(8-10-25)14-5-6-15(21-11-14)26(28)29/h5-6,11H,4,7-10H2,1-3H3