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

Systemtic Name: methanesulfonic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-methyl-propanenitrile Openeye Name: methanesulfonic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-methyl-propanenitrile CAS Name: methanesulfonic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-methylpropanenitrile IUPAC Name: methanesulfonic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-methylpropanenitrile Traditional Name: mesylic acid; 3-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-methyl-propionitrile Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCN2C1=NC3=C2C=CC(=C3)OC)C#N.CS(=O)(=O)O

Isomeric SMILES

CC(CN1CCCN2C1=NC3=C2C=CC(=C3)OC)C#N.CS(=O)(=O)O

InChI

InChI=1S/C15H18N4O.CH4O3S/c1-11(9-16)10-18-6-3-7-19-14-5-4-12(20-2)8-13(14)17-15(18)19;1-5(2,3)4/h4-5,8,11H,3,6-7,10H2,1-2H3;1H3,(H,2,3,4)