ethanedioic acid; 1-(2-methylsulfanylpyrimidin-5-yl)oxy-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: ethanedioic acid; 1-(2-methylsulfanylpyrimidin-5-yl)oxy-3-(propan-2-ylamino)propan-2-ol Openeye Name: 1-(isopropylamino)-3-(2-methylsulfanylpyrimidin-5-yl)oxy-propan-2-ol; oxalic acid CAS Name: 1-[[2-(methylthio)-5-pyrimidinyl]oxy]-3-(propan-2-ylamino)-2-propanol; oxalic acid IUPAC Name: 1-(2-methylsulfanylpyrimidin-5-yl)oxy-3-(propan-2-ylamino)propan-2-ol; oxalic acid Traditional Name: 1-(isopropylamino)-3-[2-(methylthio)pyrimidin-5-yl]oxy-propan-2-ol; oxalic acid Formula: C13H21N3O6S MolecularWeight: 347.38734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CN=C(N=C1)SC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC(COC1=CN=C(N=C1)SC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H19N3O2S.C2H2O4/c1-8(2)12-4-9(15)7-16-10-5-13-11(17-3)14-6-10;3-1(4)2(5)6/h5-6,8-9,12,15H,4,7H2,1-3H3;(H,3,4)(H,5,6)