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

Systemtic Name: (Z)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-3-methyl-but-2-enoic acid Openeye Name: (Z)-4-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-3-methyl-but-2-enoic acid CAS Name: (Z)-4-[(4-amino-6-chloro-2-pyrimidinyl)thio]-3-methyl-2-butenoic acid IUPAC Name: (Z)-4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-3-methylbut-2-enoic acid Traditional Name: (Z)-4-[(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(=CC(=O)O)CSC1=NC(=CC(=N1)Cl)N

Isomeric SMILES

C/C(=C/C(=O)O)/CSC1=NC(=CC(=N1)Cl)N

InChI

InChI=1S/C9H10ClN3O2S/c1-5(2-8(14)15)4-16-9-12-6(10)3-7(11)13-9/h2-3H,4H2,1H3,(H,14,15)(H2,11,12,13)/b5-2-