ethyl 2-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(cycloheptylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[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=CC=C1NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-2-29-20(26)15-11-7-8-12-16(15)24-19-17(25(27)28)18(21-13-22-19)23-14-9-5-3-4-6-10-14/h7-8,11-14H,2-6,9-10H2,1H3,(H2,21,22,23,24)