2-[4-azanyl-5-(3-chlorophenyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-azanyl-5-(3-chlorophenyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-amino-5-(3-chlorophenyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-amino-5-(3-chlorophenyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-amino-5-(3-chlorophenyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-amino-5-(3-chlorophenyl)pyrimidin-2-yl]thio]acetic acid Formula: C12H10ClN3O2S MolecularWeight: 295.7447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CN=C(N=C2N)SCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CN=C(N=C2N)SCC(=O)O

InChI

InChI=1S/C12H10ClN3O2S/c13-8-3-1-2-7(4-8)9-5-15-12(16-11(9)14)19-6-10(17)18/h1-5H,6H2,(H,17,18)(H2,14,15,16)