5-[4-[(3-fluoranyl-4-methylsulfonyl-phenyl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[4-[(3-fluoranyl-4-methylsulfonyl-phenyl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-[(3-fluoro-4-methylsulfonyl-phenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 5-[4-[(3-fluoro-4-methylsulfonylphenyl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-[(3-fluoro-4-methylsulfonylphenyl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]-(3-fluoro-4-mesyl-benzyl)amine Formula: C26H26FN5O3S MolecularWeight: 507.579743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN5O3S/c1-36(33,34)23-12-7-18(13-21(23)27)14-30-20-10-8-19(9-11-20)24-22(31-26(29)32-25(24)28)16-35-15-17-5-3-2-4-6-17/h2-13,30H,14-16H2,1H3,(H4,28,29,31,32)