1-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-3-(2-fluoranylphenoxy)propan-2-ol

Systemtic Name: 1-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-3-(2-fluoranylphenoxy)propan-2-ol Openeye Name: 1-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-3-(2-fluorophenoxy)propan-2-ol CAS Name: 1-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-3-(2-fluorophenoxy)-2-propanol IUPAC Name: 1-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-3-(2-fluorophenoxy)propan-2-ol Traditional Name: 1-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-3-(2-fluorophenoxy)propan-2-ol Formula: C21H21ClFN3O2S MolecularWeight: 433.926743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(COC2=CC=CC=C2F)O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(COC2=CC=CC=C2F)O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClFN3O2S/c1-2-17-19(13-7-9-14(22)10-8-13)20(24)26-21(25-17)29-12-15(27)11-28-18-6-4-3-5-16(18)23/h3-10,15,27H,2,11-12H2,1H3,(H2,24,25,26)