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

Systemtic Name: ethyl 5-methyl-4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[4-(6-nitro-3-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(6-nitro-3-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O4S/c1-3-29-19(26)16-12(2)15-17(21-11-22-18(15)30-16)24-8-6-23(7-9-24)13-4-5-14(20-10-13)25(27)28/h4-5,10-11H,3,6-9H2,1-2H3