2-methylpropyl 4-[[6-(1-methoxypropan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(1-methoxypropan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(1-methoxypropan-2-ylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(1-methoxypropan-2-ylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5/c1-12(2)9-29-19(25)14-5-7-15(8-6-14)23-18-16(24(26)27)17(20-11-21-18)22-13(3)10-28-4/h5-8,11-13H,9-10H2,1-4H3,(H2,20,21,22,23)