2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-2-(4-ethylpyridin-2-yl)ethanenitrile

Systemtic Name: 2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-2-(4-ethylpyridin-2-yl)ethanenitrile Openeye Name: 2-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-2-(4-ethyl-2-pyridyl)acetonitrile CAS Name: 2-[(4-amino-6-chloro-2-pyrimidinyl)thio]-2-(4-ethyl-2-pyridinyl)acetonitrile IUPAC Name: 2-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-2-(4-ethylpyridin-2-yl)acetonitrile Traditional Name: 2-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-2-(4-ethyl-2-pyridyl)acetonitrile Formula: C13H12ClN5S MolecularWeight: 305.78588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC=C1)C(C#N)SC2=NC(=CC(=N2)Cl)N

Isomeric SMILES

CCC1=CC(=NC=C1)C(C#N)SC2=NC(=CC(=N2)Cl)N

InChI

InChI=1S/C13H12ClN5S/c1-2-8-3-4-17-9(5-8)10(7-15)20-13-18-11(14)6-12(16)19-13/h3-6,10H,2H2,1H3,(H2,16,18,19)