6-ethyl-5-[1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-benzimidazol-5-yl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-benzimidazol-5-yl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-benzimidazol-5-yl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-5-benzimidazolyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[1-[(4-methylsulfonylphenyl)methyl]-2-phenylbenzimidazol-5-yl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-[1-(4-mesylbenzyl)-2-phenyl-benzimidazol-5-yl]pyrimidin-4-yl]amine Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=C4)CC5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=C4)CC5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C27H26N6O2S/c1-3-21-24(25(28)32-27(29)31-21)19-11-14-23-22(15-19)30-26(18-7-5-4-6-8-18)33(23)16-17-9-12-20(13-10-17)36(2,34)35/h4-15H,3,16H2,1-2H3,(H4,28,29,31,32)