4-[3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-2-hydroxy-propoxy]benzonitrile Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(COC2=CC=C(C=C2)C#N)O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(COC2=CC=C(C=C2)C#N)O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-2-19-20(15-5-7-16(23)8-6-15)21(25)27-22(26-19)30-13-17(28)12-29-18-9-3-14(11-24)4-10-18/h3-10,17,28H,2,12-13H2,1H3,(H2,25,26,27)