2-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine

Systemtic Name: 2-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine Openeye Name: 2-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine CAS Name: 2-[[4-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-2-pyrimidinyl]thio]ethanamine IUPAC Name: 2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine Traditional Name: 2-[[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-yl]thio]ethylamine Formula: C13H19N5S MolecularWeight: 277.38846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C2=NC(=NC=C2)SCCN)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C2=NC(=NC=C2)SCCN)C

InChI

InChI=1S/C13H19N5S/c1-4-18-10(3)12(9(2)17-18)11-5-7-15-13(16-11)19-8-6-14/h5,7H,4,6,8,14H2,1-3H3