ethyl 4-(4-methylsulfanylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methylsulfanylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methylsulfanylphenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-[4-(methylthio)phenyl]-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylsulfanylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-[4-(methylthio)phenyl]-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)SC)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)SC)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4S/c1-3-31-20(28)17-13-25-21(26-19(17)14-4-7-16(32-2)8-5-14)23-11-10-22-18-9-6-15(12-24-18)27(29)30/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,24)(H,23,25,26)