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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

InChI

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