2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C20H21ClN6OS MolecularWeight: 428.93834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN6OS/c1-2-16-18(14-5-7-15(21)8-6-14)19(24)26-20(25-16)29-13-17(28)27(11-3-9-22)12-4-10-23/h5-8H,2-4,11-13H2,1H3,(H2,24,25,26)