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

Systemtic Name: methyl 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[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=C(C=C2)C(=O)OC

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H19N5O5/c1-25-9-3-8-17-14-13(21(23)24)15(19-10-18-14)20-12-6-4-11(5-7-12)16(22)26-2/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)