propan-2-yl 4-[4-(2,4-dinitrophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 4-[4-(2,4-dinitrophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-(2,4-dinitrophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2,4-dinitrophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(2,4-dinitrophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2,4-dinitrophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C22H26N6O9S MolecularWeight: 550.54164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OC(C)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OC(C)C

InChI

InChI=1S/C22H26N6O9S/c1-12(2)37-22(30)19-14(4)23-15(5)24-20(19)21(29)25-8-9-26(13(3)11-25)38(35,36)18-7-6-16(27(31)32)10-17(18)28(33)34/h6-7,10,12-13H,8-9,11H2,1-5H3