2-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C22H29N5O4S2 MolecularWeight: 491.62676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2CCC)C=CC(=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2CCC)C=CC(=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H29N5O4S2/c1-3-5-16-13-21(28)25-22(23-16)32-15-20-24-18-14-17(6-7-19(18)27(20)8-4-2)33(29,30)26-9-11-31-12-10-26/h6-7,13-14H,3-5,8-12,15H2,1-2H3,(H,23,25,28)