2-[4-chloranyl-6-[1-hydroxyethyl(methyl)amino]pyrimidin-2-yl]sulfanylbutanoic acid

Systemtic Name: 2-[4-chloranyl-6-[1-hydroxyethyl(methyl)amino]pyrimidin-2-yl]sulfanylbutanoic acid Openeye Name: 2-[4-chloro-6-[1-hydroxyethyl(methyl)amino]pyrimidin-2-yl]sulfanylbutanoic acid CAS Name: 2-[[4-chloro-6-[1-hydroxyethyl(methyl)amino]-2-pyrimidinyl]thio]butanoic acid IUPAC Name: 2-[4-chloro-6-[1-hydroxyethyl(methyl)amino]pyrimidin-2-yl]sulfanylbutanoic acid Traditional Name: 2-[[4-chloro-6-[1-hydroxyethyl(methyl)amino]pyrimidin-2-yl]thio]butyric acid Formula: C11H16ClN3O3S MolecularWeight: 305.78104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=CC(=N1)Cl)N(C)C(C)O

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=CC(=N1)Cl)N(C)C(C)O

InChI

InChI=1S/C11H16ClN3O3S/c1-4-7(10(17)18)19-11-13-8(12)5-9(14-11)15(3)6(2)16/h5-7,16H,4H2,1-3H3,(H,17,18)