5-[(5-chloranyl-4-methoxy-2-propan-2-yl-phenyl)methyl]-N2-phenethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[(5-chloranyl-4-methoxy-2-propan-2-yl-phenyl)methyl]-N2-phenethyl-pyrimidine-2,4-diamine Openeye Name: 5-[(5-chloro-2-isopropyl-4-methoxy-phenyl)methyl]-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: 5-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]-N2-phenethylpyrimidine-2,4-diamine IUPAC Name: 5-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: [4-amino-5-(5-chloro-2-isopropyl-4-methoxy-benzyl)pyrimidin-2-yl]-phenethyl-amine Formula: C23H27ClN4O MolecularWeight: 410.93968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1CC2=CN=C(N=C2N)NCCC3=CC=CC=C3)Cl)OC

Isomeric SMILES

CC(C)C1=CC(=C(C=C1CC2=CN=C(N=C2N)NCCC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C23H27ClN4O/c1-15(2)19-13-21(29-3)20(24)12-17(19)11-18-14-27-23(28-22(18)25)26-10-9-16-7-5-4-6-8-16/h4-8,12-15H,9-11H2,1-3H3,(H3,25,26,27,28)