2-azanyl-3-[4-(1-methylpyrazol-3-yl)pyrimidin-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-(1-methylpyrazol-3-yl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(1-methylpyrazol-3-yl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(1-methyl-3-pyrazolyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(1-methylpyrazol-3-yl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-(1-methylpyrazol-3-yl)pyrimidin-2-yl]thio]propionic acid Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C2=NC(=NC=C2)SCC(C(=O)O)N

Isomeric SMILES

CN1C=CC(=N1)C2=NC(=NC=C2)SCC(C(=O)O)N

InChI

InChI=1S/C11H13N5O2S/c1-16-5-3-9(15-16)8-2-4-13-11(14-8)19-6-7(12)10(17)18/h2-5,7H,6,12H2,1H3,(H,17,18)