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

Systemtic Name: (Z)-2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-3-methyl-pent-2-enoic acid Openeye Name: (Z)-2-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-3-methyl-pent-2-enoic acid CAS Name: (Z)-2-[(4-amino-6-chloro-2-pyrimidinyl)thio]-3-methyl-2-pentenoic acid IUPAC Name: (Z)-2-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-3-methylpent-2-enoic acid Traditional Name: (Z)-2-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-3-methyl-pent-2-enoic acid Formula: C10H12ClN3O2S MolecularWeight: 273.73918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClN3O2S/c1-3-5(2)8(9(15)16)17-10-13-6(11)4-7(12)14-10/h4H,3H2,1-2H3,(H,15,16)(H2,12,13,14)/b8-5-