ethyl 4-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(cycloheptylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-2-29-20(26)14-9-11-16(12-10-14)24-19-17(25(27)28)18(21-13-22-19)23-15-7-5-3-4-6-8-15/h9-13,15H,2-8H2,1H3,(H2,21,22,23,24)