2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-3-methyl-but-2-enoic acid

Systemtic Name: 2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-3-methyl-but-2-enoic acid Openeye Name: 2-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-3-methyl-but-2-enoic acid CAS Name: 2-[(4-amino-6-chloro-2-pyrimidinyl)thio]-3-methyl-2-butenoic acid IUPAC Name: 2-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-3-methylbut-2-enoic acid Traditional Name: 2-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-3-methyl-but-2-enoic acid Formula: C9H10ClN3O2S MolecularWeight: 259.7126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10ClN3O2S/c1-4(2)7(8(14)15)16-9-12-5(10)3-6(11)13-9/h3H,1-2H3,(H,14,15)(H2,11,12,13)