3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]propanenitrile IUPAC Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]propionitrile Formula: C15H15ClN4S MolecularWeight: 318.8244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCCC#N)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCCC#N)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H15ClN4S/c1-2-12-13(10-4-6-11(16)7-5-10)14(18)20-15(19-12)21-9-3-8-17/h4-7H,2-3,9H2,1H3,(H2,18,19,20)