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

Systemtic Name: 4-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]butyronitrile Formula: C16H17ClN4S MolecularWeight: 332.85098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4S/c1-2-13-14(11-5-7-12(17)8-6-11)15(19)21-16(20-13)22-10-4-3-9-18/h5-8H,2-4,10H2,1H3,(H2,19,20,21)