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

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

C1=C(N=C(N=C1Cl)SCC=CC(=O)O)N

Isomeric SMILES

C1=C(N=C(N=C1Cl)SC/C=C/C(=O)O)N

InChI

InChI=1S/C8H8ClN3O2S/c9-5-4-6(10)12-8(11-5)15-3-1-2-7(13)14/h1-2,4H,3H2,(H,13,14)(H2,10,11,12)/b2-1+