4-ethylsulfonyl-2-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenol hydrochloride

Systemtic Name: 4-ethylsulfonyl-2-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenol hydrochloride Openeye Name: 4-ethylsulfonyl-2-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenol hydrochloride CAS Name: 4-ethylsulfonyl-2-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenol hydrochloride IUPAC Name: 4-ethylsulfonyl-2-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenol hydrochloride Traditional Name: 4-esyl-2-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenol hydrochloride Formula: C14H18ClN3O3S2 MolecularWeight: 375.89402

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=NC(=NC(=C2)C)SC.Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=NC(=NC(=C2)C)SC.Cl

InChI

InChI=1S/C14H17N3O3S2.ClH/c1-4-22(19,20)10-5-6-12(18)11(8-10)16-13-7-9(2)15-14(17-13)21-3;/h5-8,18H,4H2,1-3H3,(H,15,16,17);1H