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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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