5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-[(2-methylphenyl)methoxymethyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-[(2-methylphenyl)methoxymethyl]pyrimidine-2,4-diamine Openeye Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(o-tolylmethoxymethyl)pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-[(2-methylphenyl)methoxymethyl]pyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-[(2-methylphenyl)methoxymethyl]pyrimidine-2,4-diamine Traditional Name: (4-chlorobenzyl)-[4-[2,4-diamino-6-[(2-methylbenzyl)oxymethyl]pyrimidin-5-yl]phenyl]amine Formula: C26H26ClN5O MolecularWeight: 459.97054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN5O/c1-17-4-2-3-5-20(17)15-33-16-23-24(25(28)32-26(29)31-23)19-8-12-22(13-9-19)30-14-18-6-10-21(27)11-7-18/h2-13,30H,14-16H2,1H3,(H4,28,29,31,32)