N-[6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]-N',N'-diethyl-ethane-1,2-diamine

Systemtic Name: N-[6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]-N',N'-diethyl-ethane-1,2-diamine Openeye Name: N-[6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]-N',N'-diethyl-ethane-1,2-diamine CAS Name: N-[6-[(4-chlorophenyl)thio]-2-phenyl-4-pyrimidinyl]-N',N'-diethylethane-1,2-diamine IUPAC Name: N-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine Traditional Name: 2-[[6-[(4-chlorophenyl)thio]-2-phenyl-pyrimidin-4-yl]amino]ethyl-diethyl-amine Formula: C22H25ClN4S MolecularWeight: 412.9787

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=CC(=NC(=N1)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CCNC1=CC(=NC(=N1)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4S/c1-3-27(4-2)15-14-24-20-16-21(28-19-12-10-18(23)11-13-19)26-22(25-20)17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,25,26)