5-butyl-2-(2-dimethylaminoethylsulfanyl)-6-oxidanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 5-butyl-2-(2-dimethylaminoethylsulfanyl)-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 5-butyl-2-(2-dimethylaminoethylsulfanyl)-6-hydroxy-1-phenyl-pyrimidin-4-one CAS Name: 5-butyl-2-(2-dimethylaminoethylthio)-6-hydroxy-1-phenyl-4-pyrimidinone IUPAC Name: 5-butyl-2-(2-dimethylaminoethylsulfanyl)-6-hydroxy-1-phenylpyrimidin-4-one Traditional Name: 5-butyl-2-(2-dimethylaminoethylthio)-6-hydroxy-1-phenyl-pyrimidin-4-one Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCCN(C)C)C2=CC=CC=C2)O

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCCN(C)C)C2=CC=CC=C2)O

InChI

InChI=1S/C18H25N3O2S/c1-4-5-11-15-16(22)19-18(24-13-12-20(2)3)21(17(15)23)14-9-7-6-8-10-14/h6-10,23H,4-5,11-13H2,1-3H3