2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-morpholinosulfonylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-morpholinosulfonylbenzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C18H23N3O4S2 MolecularWeight: 409.52292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23N3O4S2/c1-2-4-15-12-17(22)20-18(19-15)26-13-14-5-3-6-16(11-14)27(23,24)21-7-9-25-10-8-21/h3,5-6,11-12H,2,4,7-10,13H2,1H3,(H,19,20,22)