methyl 4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(1-phenylethylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

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