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

Systemtic Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(phenoxymethyl)pyrimidine-2,4-diamine Openeye Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(phenoxymethyl)pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(phenoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(phenoxymethyl)pyrimidine-2,4-diamine Traditional Name: (4-chlorobenzyl)-[4-[2,4-diamino-6-(phenoxymethyl)pyrimidin-5-yl]phenyl]amine Formula: C24H22ClN5O MolecularWeight: 431.91738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClN5O/c25-18-10-6-16(7-11-18)14-28-19-12-8-17(9-13-19)22-21(29-24(27)30-23(22)26)15-31-20-4-2-1-3-5-20/h1-13,28H,14-15H2,(H4,26,27,29,30)