3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1COCCN1C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C16H16ClN3O3S/c17-13-9-14(20-4-6-23-7-5-20)19-16(18-13)24-10-11-2-1-3-12(8-11)15(21)22/h1-3,8-9H,4-7,10H2,(H,21,22)