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

Systemtic Name: 5-[4-[[(4-nitrophenyl)amino]methyl]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-[(4-nitroanilino)methyl]phenyl]pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-nitroanilino)methyl]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-nitroanilino)methyl]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]benzyl]-(4-nitrophenyl)amine Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)CNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)CNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O3/c26-24-23(22(29-25(27)30-24)16-34-15-18-4-2-1-3-5-18)19-8-6-17(7-9-19)14-28-20-10-12-21(13-11-20)31(32)33/h1-13,28H,14-16H2,(H4,26,27,29,30)