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

Systemtic Name: 5-chloranyl-6-methyl-N-[2-(2-methyl-6-nitro-4-pentyl-phenoxy)ethyl]pyrimidin-4-amine Openeye Name: 5-chloro-6-methyl-N-[2-(2-methyl-6-nitro-4-pentyl-phenoxy)ethyl]pyrimidin-4-amine CAS Name: 5-chloro-6-methyl-N-[2-(2-methyl-6-nitro-4-pentylphenoxy)ethyl]-4-pyrimidinamine IUPAC Name: 5-chloro-6-methyl-N-[2-(2-methyl-6-nitro-4-pentylphenoxy)ethyl]pyrimidin-4-amine Traditional Name: 2-(4-amyl-2-methyl-6-nitro-phenoxy)ethyl-(5-chloro-6-methyl-pyrimidin-4-yl)amine Formula: C19H25ClN4O3 MolecularWeight: 392.8798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4O3/c1-4-5-6-7-15-10-13(2)18(16(11-15)24(25)26)27-9-8-21-19-17(20)14(3)22-12-23-19/h10-12H,4-9H2,1-3H3,(H,21,22,23)