[5-butyl-2-(ethylamino)-6-methyl-pyrimidin-4-yl]methanesulfonate

Systemtic Name: [5-butyl-2-(ethylamino)-6-methyl-pyrimidin-4-yl]methanesulfonate Openeye Name: [5-butyl-2-(ethylamino)-6-methyl-pyrimidin-4-yl]methanesulfonate CAS Name: [5-butyl-2-(ethylamino)-6-methyl-4-pyrimidinyl]methanesulfonate IUPAC Name: [5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl]methanesulfonate Traditional Name: [5-butyl-2-(ethylamino)-6-methyl-pyrimidin-4-yl]methanesulfonate Formula: C12H20N3O3S- MolecularWeight: 286.3705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1CS(=O)(=O)[O-])NCC)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1CS(=O)(=O)[O-])NCC)C

InChI

InChI=1S/C12H21N3O3S/c1-4-6-7-10-9(3)14-12(13-5-2)15-11(10)8-19(16,17)18/h4-8H2,1-3H3,(H,13,14,15)(H,16,17,18)/p-1