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

Systemtic Name: 1-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-3-phenoxy-propan-2-ol Openeye Name: 1-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-3-phenoxy-propan-2-ol CAS Name: 1-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-3-phenoxy-2-propanol IUPAC Name: 1-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-3-phenoxypropan-2-ol Traditional Name: 1-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-3-phenoxy-propan-2-ol Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(COC2=CC=CC=C2)O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(COC2=CC=CC=C2)O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-2-18-19(14-8-10-15(22)11-9-14)20(23)25-21(24-18)28-13-16(26)12-27-17-6-4-3-5-7-17/h3-11,16,26H,2,12-13H2,1H3,(H2,23,24,25)