(E)-2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylbut-2-enoic acid

Systemtic Name: (E)-2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylbut-2-enoic acid Openeye Name: (E)-2-(4-amino-6-chloro-pyrimidin-2-yl)sulfanylbut-2-enoic acid CAS Name: (E)-2-[(4-amino-6-chloro-2-pyrimidinyl)thio]-2-butenoic acid IUPAC Name: (E)-2-(4-amino-6-chloropyrimidin-2-yl)sulfanylbut-2-enoic acid Traditional Name: (E)-2-[(4-amino-6-chloro-pyrimidin-2-yl)thio]but-2-enoic acid Formula: C8H8ClN3O2S MolecularWeight: 245.68602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C(\C(=O)O)/SC1=NC(=CC(=N1)Cl)N

InChI

InChI=1S/C8H8ClN3O2S/c1-2-4(7(13)14)15-8-11-5(9)3-6(10)12-8/h2-3H,1H3,(H,13,14)(H2,10,11,12)/b4-2+