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

Systemtic Name: methyl 2-[methyl-[6-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-(p-tolylmethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-[(4-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-14-8-10-15(11-9-14)12-22-19-18(26(28)29)20(24-13-23-19)25(2)17-7-5-4-6-16(17)21(27)30-3/h4-11,13H,12H2,1-3H3,(H,22,23,24)