methyl 2-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H19N5O5/c1-25-9-5-8-17-14-13(21(23)24)15(19-10-18-14)20-12-7-4-3-6-11(12)16(22)26-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,17,18,19,20)