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

Systemtic Name: ethyl 4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(1-phenylethylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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