2-azanyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(1,3,5-trimethyl-4-pyrazolyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]thio]propionic acid Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC(=NC=C2)SCC(C(=O)O)N

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC(=NC=C2)SCC(C(=O)O)N

InChI

InChI=1S/C13H17N5O2S/c1-7-11(8(2)18(3)17-7)10-4-5-15-13(16-10)21-6-9(14)12(19)20/h4-5,9H,6,14H2,1-3H3,(H,19,20)