methanesulfonic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)propanenitrile; hydrate

Systemtic Name: methanesulfonic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)propanenitrile; hydrate Openeye Name: methanesulfonic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)propanenitrile; hydrate CAS Name: methanesulfonic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)propanenitrile; hydrate IUPAC Name: methanesulfonic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)propanenitrile; hydrate Traditional Name: mesylic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)propionitrile; hydrate Formula: C15H22N4O5S MolecularWeight: 370.42398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N3CCCN(C3=N2)CCC#N.CS(=O)(=O)O.O

Isomeric SMILES

COC1=CC2=C(C=C1)N3CCCN(C3=N2)CCC#N.CS(=O)(=O)O.O

InChI

InChI=1S/C14H16N4O.CH4O3S.H2O/c1-19-11-4-5-13-12(10-11)16-14-17(7-2-6-15)8-3-9-18(13)14;1-5(2,3)4;/h4-5,10H,2-3,7-9H2,1H3;1H3,(H,2,3,4);1H2