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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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