methyl 2-[[6-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-(p-tolylmethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[(4-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H19N5O4/c1-13-7-9-14(10-8-13)11-21-18-17(25(27)28)19(23-12-22-18)24-16-6-4-3-5-15(16)20(26)29-2/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24)