6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-[3-(1-imidazolyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C18H19ClN6O3 MolecularWeight: 402.83486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C18H19ClN6O3/c1-12-8-14(9-13(2)15(12)19)28-18-16(25(26)27)17(22-10-23-18)21-4-3-6-24-7-5-20-11-24/h5,7-11H,3-4,6H2,1-2H3,(H,21,22,23)