4-[4-[3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-2-hydroxy-propoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-2-hydroxypropoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-2-hydroxypropoxy]phenyl]butan-2-one Traditional Name: 4-[4-[3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-2-hydroxy-propoxy]phenyl]butan-2-one Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O3S/c1-3-22-23(18-8-10-19(26)11-9-18)24(27)29-25(28-22)33-15-20(31)14-32-21-12-6-17(7-13-21)5-4-16(2)30/h6-13,20,31H,3-5,14-15H2,1-2H3,(H2,27,28,29)