6-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethylphenoxy)-N-[3-(1-imidazolyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)C

InChI

InChI=1S/C18H20N6O3/c1-13-8-14(2)10-15(9-13)27-18-16(24(25)26)17(21-11-22-18)20-4-3-6-23-7-5-19-12-23/h5,7-12H,3-4,6H2,1-2H3,(H,20,21,22)