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

Systemtic Name: ethyl 4-[[6-(1-methoxypropan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O5/c1-4-27-17(23)12-5-7-13(8-6-12)21-16-14(22(24)25)15(18-10-19-16)20-11(2)9-26-3/h5-8,10-11H,4,9H2,1-3H3,(H2,18,19,20,21)