5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(3-methylbutoxymethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(3-methylbutoxymethyl)pyrimidine-2,4-diamine Openeye Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(isopentyloxymethyl)pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(3-methylbutoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(3-methylbutoxymethyl)pyrimidine-2,4-diamine Traditional Name: (4-chlorobenzyl)-[4-[2,4-diamino-6-(isoamoxymethyl)pyrimidin-5-yl]phenyl]amine Formula: C23H28ClN5O MolecularWeight: 425.95432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CCOCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN5O/c1-15(2)11-12-30-14-20-21(22(25)29-23(26)28-20)17-5-9-19(10-6-17)27-13-16-3-7-18(24)8-4-16/h3-10,15,27H,11-14H2,1-2H3,(H4,25,26,28,29)