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

Systemtic Name: 5-[2-(2-chlorophenyl)-3-oxidanyl-benzimidazol-5-yl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[2-(2-chlorophenyl)-3-hydroxy-benzimidazol-5-yl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[2-(2-chlorophenyl)-3-hydroxy-5-benzimidazolyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[2-(2-chlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[2-(2-chlorophenyl)-3-hydroxy-benzimidazol-5-yl]-6-ethyl-pyrimidin-4-yl]amine Formula: C19H17ClN6O MolecularWeight: 380.83088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N=C(N3O)C4=CC=CC=C4Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N=C(N3O)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H17ClN6O/c1-2-13-16(17(21)25-19(22)24-13)10-7-8-14-15(9-10)26(27)18(23-14)11-5-3-4-6-12(11)20/h3-9,27H,2H2,1H3,(H4,21,22,24,25)