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

Systemtic Name: 2-azanyl-3-[4-(1-ethylpyrazol-3-yl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(1-ethylpyrazol-3-yl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(1-ethyl-3-pyrazolyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(1-ethylpyrazol-3-yl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-(1-ethylpyrazol-3-yl)pyrimidin-2-yl]thio]propionic acid Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C2=NC(=NC=C2)SCC(C(=O)O)N

Isomeric SMILES

CCN1C=CC(=N1)C2=NC(=NC=C2)SCC(C(=O)O)N

InChI

InChI=1S/C12H15N5O2S/c1-2-17-6-4-10(16-17)9-3-5-14-12(15-9)20-7-8(13)11(18)19/h3-6,8H,2,7,13H2,1H3,(H,18,19)