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

Systemtic Name: 5-chloranyl-6-methyl-N-[4-(2-methyl-4-pentyl-phenoxy)butyl]pyrimidin-4-amine Openeye Name: 5-chloro-6-methyl-N-[4-(2-methyl-4-pentyl-phenoxy)butyl]pyrimidin-4-amine CAS Name: 5-chloro-6-methyl-N-[4-(2-methyl-4-pentylphenoxy)butyl]-4-pyrimidinamine IUPAC Name: 5-chloro-6-methyl-N-[4-(2-methyl-4-pentylphenoxy)butyl]pyrimidin-4-amine Traditional Name: 4-(4-amyl-2-methyl-phenoxy)butyl-(5-chloro-6-methyl-pyrimidin-4-yl)amine Formula: C21H30ClN3O MolecularWeight: 375.9354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCCCNC2=NC=NC(=C2Cl)C)C

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCCNC2=NC=NC(=C2Cl)C)C

InChI

InChI=1S/C21H30ClN3O/c1-4-5-6-9-18-10-11-19(16(2)14-18)26-13-8-7-12-23-21-20(22)17(3)24-15-25-21/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,23,24,25)