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

Systemtic Name: methyl 4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(cyclopentylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4/c1-26-17(23)11-6-8-13(9-7-11)21-16-14(22(24)25)15(18-10-19-16)20-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H2,18,19,20,21)