2-(4-chloranylphenoxy)-N-[5-[[(4-methoxy-6-methyl-pyrimidin-2-yl)amino]methyl]-2-adamantyl]-2-methyl-propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[5-[[(4-methoxy-6-methyl-pyrimidin-2-yl)amino]methyl]-2-adamantyl]-2-methyl-propanamide Openeye Name: 2-(4-chlorophenoxy)-N-[5-[[(4-methoxy-6-methyl-pyrimidin-2-yl)amino]methyl]-2-adamantyl]-2-methyl-propanamide CAS Name: 2-(4-chlorophenoxy)-N-[5-[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]methyl]-2-adamantyl]-2-methylpropanamide IUPAC Name: 2-(4-chlorophenoxy)-N-[5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]-2-adamantyl]-2-methylpropanamide Traditional Name: 2-(4-chlorophenoxy)-N-[5-[[(4-methoxy-6-methyl-pyrimidin-2-yl)amino]methyl]-2-adamantyl]-2-methyl-propionamide Formula: C27H35ClN4O3 MolecularWeight: 499.0448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCC23CC4CC(C2)C(C(C4)C3)NC(=O)C(C)(C)OC5=CC=C(C=C5)Cl)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NCC23CC4CC(C2)C(C(C4)C3)NC(=O)C(C)(C)OC5=CC=C(C=C5)Cl)OC

InChI

InChI=1S/C27H35ClN4O3/c1-16-9-22(34-4)31-25(30-16)29-15-27-12-17-10-18(13-27)23(19(11-17)14-27)32-24(33)26(2,3)35-21-7-5-20(28)6-8-21/h5-9,17-19,23H,10-15H2,1-4H3,(H,32,33)(H,29,30,31)