6-(1H-benzimidazol-2-ylsulfinylmethyl)-N-(2,2-dimethylpropyl)pyridin-2-amine hydrate

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfinylmethyl)-N-(2,2-dimethylpropyl)pyridin-2-amine hydrate Openeye Name: 6-(1H-benzimidazol-2-ylsulfinylmethyl)-N-(2,2-dimethylpropyl)pyridin-2-amine hydrate CAS Name: 6-(1H-benzimidazol-2-ylsulfinylmethyl)-N-(2,2-dimethylpropyl)-2-pyridinamine hydrate IUPAC Name: 6-(1H-benzimidazol-2-ylsulfinylmethyl)-N-(2,2-dimethylpropyl)pyridin-2-amine hydrate Traditional Name: [6-(1H-benzimidazol-2-ylsulfinylmethyl)-2-pyridyl]-neopentyl-amine hydrate Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=CC=CC(=N1)CS(=O)C2=NC3=CC=CC=C3N2.O

Isomeric SMILES

CC(C)(C)CNC1=CC=CC(=N1)CS(=O)C2=NC3=CC=CC=C3N2.O

InChI

InChI=1S/C18H22N4OS.H2O/c1-18(2,3)12-19-16-10-6-7-13(20-16)11-24(23)17-21-14-8-4-5-9-15(14)22-17;/h4-10H,11-12H2,1-3H3,(H,19,20)(H,21,22);1H2