2-methylpropyl 4-[(5-nitro-6-phenylazanyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-methylpropyl 4-[(5-nitro-6-phenylazanyl-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[(6-anilino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-anilino-5-nitro-4-pyrimidinyl)amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(6-anilino-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-anilino-5-nitro-pyrimidin-4-yl)amino]benzoic acid isobutyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-14(2)12-30-21(27)15-8-10-17(11-9-15)25-20-18(26(28)29)19(22-13-23-20)24-16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H2,22,23,24,25)