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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-29-20(26)15-7-9-16(10-8-15)24-19-17(25(27)28)18(22-13-23-19)21-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,21,22,23,24)