5-azanyl-1-(6-ethoxy-2-methylsulfanyl-pyrimidin-4-yl)-3-ethyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(6-ethoxy-2-methylsulfanyl-pyrimidin-4-yl)-3-ethyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(6-ethoxy-2-methylsulfanyl-pyrimidin-4-yl)-3-ethyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-ethoxy-2-(methylthio)-4-pyrimidinyl]-3-ethyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(6-ethoxy-2-methylsulfanylpyrimidin-4-yl)-3-ethylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-ethoxy-2-(methylthio)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Formula: C13H16N6OS MolecularWeight: 304.37074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OCC

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OCC

InChI

InChI=1S/C13H16N6OS/c1-4-9-8(7-14)12(15)19(18-9)10-6-11(20-5-2)17-13(16-10)21-3/h6H,4-5,15H2,1-3H3