2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-phenyl-ethanol

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-phenyl-ethanol Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-phenyl-ethanol CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-phenylethanol IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-phenylethanol Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-1-phenyl-ethanol Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3OS/c1-2-16-18(14-8-10-15(21)11-9-14)19(22)24-20(23-16)26-12-17(25)13-6-4-3-5-7-13/h3-11,17,25H,2,12H2,1H3,(H2,22,23,24)