2-[4-azanyl-5-(2,4-dichlorophenyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-azanyl-5-(2,4-dichlorophenyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-amino-5-(2,4-dichlorophenyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-amino-5-(2,4-dichlorophenyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-amino-5-(2,4-dichlorophenyl)pyrimidin-2-yl]thio]acetic acid Formula: C12H9Cl2N3O2S MolecularWeight: 330.18976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C2=CN=C(N=C2N)SCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C2=CN=C(N=C2N)SCC(=O)O

InChI

InChI=1S/C12H9Cl2N3O2S/c13-6-1-2-7(9(14)3-6)8-4-16-12(17-11(8)15)20-5-10(18)19/h1-4H,5H2,(H,18,19)(H2,15,16,17)