6-ethyl-5-[2-(2-methylphenyl)-3-oxidanyl-benzimidazol-5-yl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[2-(2-methylphenyl)-3-oxidanyl-benzimidazol-5-yl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[3-hydroxy-2-(o-tolyl)benzimidazol-5-yl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[3-hydroxy-2-(2-methylphenyl)-5-benzimidazolyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[3-hydroxy-2-(2-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-[3-hydroxy-2-(o-tolyl)benzimidazol-5-yl]pyrimidin-4-yl]amine Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N=C(N3O)C4=CC=CC=C4C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N=C(N3O)C4=CC=CC=C4C

InChI

InChI=1S/C20H20N6O/c1-3-14-17(18(21)25-20(22)24-14)12-8-9-15-16(10-12)26(27)19(23-15)13-7-5-4-6-11(13)2/h4-10,27H,3H2,1-2H3,(H4,21,22,24,25)