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

Systemtic Name: methyl 4-[[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(cyclohexylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-27-18(24)12-7-9-14(10-8-12)22-17-15(23(25)26)16(19-11-20-17)21-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,19,20,21,22)