6-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]pyridin-2-amine hydrate

Systemtic Name: 6-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]pyridin-2-amine hydrate Openeye Name: 6-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]pyridin-2-amine hydrate CAS Name: 6-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-2-pyridinamine hydrate IUPAC Name: 6-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]pyridin-2-amine hydrate Traditional Name: [6-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-2-pyridyl]amine hydrate Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)NC(=N2)S(=O)CC3=NC(=CC=C3)N)OC.O

Isomeric SMILES

COC1=C(C=C2C(=C1)NC(=N2)S(=O)CC3=NC(=CC=C3)N)OC.O

InChI

InChI=1S/C15H16N4O3S.H2O/c1-21-12-6-10-11(7-13(12)22-2)19-15(18-10)23(20)8-9-4-3-5-14(16)17-9;/h3-7H,8H2,1-2H3,(H2,16,17)(H,18,19);1H2