5-chloranyl-N-[2-(2-ethyl-4-pentyl-phenoxy)ethyl]-6-methyl-pyrimidin-4-amine nitrate

Systemtic Name: 5-chloranyl-N-[2-(2-ethyl-4-pentyl-phenoxy)ethyl]-6-methyl-pyrimidin-4-amine nitrate Openeye Name: 5-chloro-N-[2-(2-ethyl-4-pentyl-phenoxy)ethyl]-6-methyl-pyrimidin-4-amine nitrate CAS Name: 5-chloro-N-[2-(2-ethyl-4-pentylphenoxy)ethyl]-6-methyl-4-pyrimidinamine nitrate IUPAC Name: 5-chloro-N-[2-(2-ethyl-4-pentylphenoxy)ethyl]-6-methylpyrimidin-4-amine nitrate Traditional Name: 2-(4-amyl-2-ethyl-phenoxy)ethyl-(5-chloro-6-methyl-pyrimidin-4-yl)amine nitrate Formula: C20H28ClN4O4- MolecularWeight: 423.91372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2Cl)C)CC.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2Cl)C)CC.[N+](=O)([O-])[O-]

InChI

InChI=1S/C20H28ClN3O.NO3/c1-4-6-7-8-16-9-10-18(17(5-2)13-16)25-12-11-22-20-19(21)15(3)23-14-24-20;2-1(3)4/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,22,23,24);/q;-1