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

Systemtic Name: 5-chloranyl-6-methyl-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]pyrimidin-4-amine nitrate Openeye Name: 5-chloro-6-methyl-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]pyrimidin-4-amine nitrate CAS Name: 5-chloro-6-methyl-N-[2-(2-methyl-4-pentylphenoxy)ethyl]-4-pyrimidinamine nitrate IUPAC Name: 5-chloro-6-methyl-N-[2-(2-methyl-4-pentylphenoxy)ethyl]pyrimidin-4-amine nitrate Traditional Name: 2-(4-amyl-2-methyl-phenoxy)ethyl-(5-chloro-6-methyl-pyrimidin-4-yl)amine nitrate Formula: C19H26ClN4O4- MolecularWeight: 409.88714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3O.NO3/c1-4-5-6-7-16-8-9-17(14(2)12-16)24-11-10-21-19-18(20)15(3)22-13-23-19;2-1(3)4/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,21,22,23);/q;-1