methyl 4-[[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[methyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[benzyl(methyl)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:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

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