[2-[(6-azanylpyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol hydrate

Systemtic Name: [2-[(6-azanylpyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol hydrate Openeye Name: [2-[(6-amino-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol hydrate CAS Name: [2-[(6-amino-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol hydrate IUPAC Name: [2-[(6-aminopyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol hydrate Traditional Name: [2-[(6-amino-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol hydrate Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)N)CS(=O)C2=NC3=C(N2)C=C(C=C3)CO.O

Isomeric SMILES

C1=CC(=NC(=C1)N)CS(=O)C2=NC3=C(N2)C=C(C=C3)CO.O

InChI

InChI=1S/C14H14N4O2S.H2O/c15-13-3-1-2-10(16-13)8-21(20)14-17-11-5-4-9(7-19)6-12(11)18-14;/h1-6,19H,7-8H2,(H2,15,16)(H,17,18);1H2