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

Systemtic Name: 6-methyl-2-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]pyrimidin-4-amine Openeye Name: 6-methyl-2-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]pyrimidin-4-amine CAS Name: 6-methyl-2-[[5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methylthio]-4-pyrimidinamine IUPAC Name: 6-methyl-2-[(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methylsulfanyl]pyrimidin-4-amine Traditional Name: [6-methyl-2-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methylthio]pyrimidin-4-yl]amine Formula: C20H26N6O3S2 MolecularWeight: 462.58884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC(=CC(=N4)N)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC(=CC(=N4)N)C

InChI

InChI=1S/C20H26N6O3S2/c1-3-6-26-17-5-4-15(31(27,28)25-7-9-29-10-8-25)12-16(17)23-19(26)13-30-20-22-14(2)11-18(21)24-20/h4-5,11-12H,3,6-10,13H2,1-2H3,(H2,21,22,24)