ethyl 3-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(cyclopentylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4/c1-2-27-18(24)12-6-5-9-14(10-12)22-17-15(23(25)26)16(19-11-20-17)21-13-7-3-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,19,20,21,22)