methanesulfonic acid; 1-[2-[2-(pyrazin-2-ylamino)ethylamino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: methanesulfonic acid; 1-[2-[2-(pyrazin-2-ylamino)ethylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: methanesulfonic acid; 1-[2-[2-(pyrazin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: methanesulfonic acid; 1-[1-oxo-2-[2-(2-pyrazinylamino)ethylamino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: methanesulfonic acid; 1-[2-[2-(pyrazin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: mesylic acid; 1-[2-[2-(pyrazin-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile Formula: C15H26N6O7S2 MolecularWeight: 466.53294

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CC(N(C1)C(=O)CNCCNC2=NC=CN=C2)C#N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CC(N(C1)C(=O)CNCCNC2=NC=CN=C2)C#N

InChI

InChI=1S/C13H18N6O.2CH4O3S/c14-8-11-2-1-7-19(11)13(20)10-16-4-6-18-12-9-15-3-5-17-12;2*1-5(2,3)4/h3,5,9,11,16H,1-2,4,6-7,10H2,(H,17,18);2*1H3,(H,2,3,4)