methyl 2-acetamido-6-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]hexanoate

Systemtic Name: methyl 2-acetamido-6-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]hexanoate Openeye Name: methyl 2-acetamido-6-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]hexanoate CAS Name: 2-acetamido-6-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]hexanoate Traditional Name: 2-acetamido-6-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]hexanoic acid methyl ester Formula: C19H23ClN6O5 MolecularWeight: 450.87612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC(=O)NC(CCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C19H23ClN6O5/c1-12(27)23-15(18(28)31-2)5-3-4-10-21-17-16(26(29)30)11-22-19(25-17)24-14-8-6-13(20)7-9-14/h6-9,11,15H,3-5,10H2,1-2H3,(H,23,27)(H2,21,22,24,25)