4-(4-chlorophenyl)sulfanyl-2-phenyl-6-piperazin-1-yl-pyrimidine; ethanol

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-2-phenyl-6-piperazin-1-yl-pyrimidine; ethanol Openeye Name: 4-(4-chlorophenyl)sulfanyl-2-phenyl-6-piperazin-1-yl-pyrimidine; ethanol CAS Name: 4-[(4-chlorophenyl)thio]-2-phenyl-6-(1-piperazinyl)pyrimidine; ethanol IUPAC Name: 4-(4-chlorophenyl)sulfanyl-2-phenyl-6-piperazin-1-ylpyrimidine; ethanol Traditional Name: 4-[(4-chlorophenyl)thio]-2-phenyl-6-piperazino-pyrimidine; ethanol Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1CN(CCN1)C2=CC(=NC(=N2)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CCO.C1CN(CCN1)C2=CC(=NC(=N2)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4S.C2H6O/c21-16-6-8-17(9-7-16)26-19-14-18(25-12-10-22-11-13-25)23-20(24-19)15-4-2-1-3-5-15;1-2-3/h1-9,14,22H,10-13H2;3H,2H2,1H3