6-(phenylmethoxymethyl)-5-[4-[(phenylmethyl)amino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(phenylmethoxymethyl)-5-[4-[(phenylmethyl)amino]phenyl]pyrimidine-2,4-diamine Openeye Name: 5-[4-(benzylamino)phenyl]-6-(benzyloxymethyl)pyrimidine-2,4-diamine CAS Name: 6-(phenylmethoxymethyl)-5-[4-[(phenylmethyl)amino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-[4-(benzylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Traditional Name: benzyl-[4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]amine Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)COCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)COCC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O/c26-24-23(20-11-13-21(14-12-20)28-15-18-7-3-1-4-8-18)22(29-25(27)30-24)17-31-16-19-9-5-2-6-10-19/h1-14,28H,15-17H2,(H4,26,27,29,30)