1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-(phenylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea

Systemtic Name: 1-cyclopropyl-3-[4-[4-morpholin-4-yl-6-(phenylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea Openeye Name: 1-[4-[4-(benzenesulfonylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]-3-cyclopropyl-urea CAS Name: 1-[4-[4-(benzenesulfonylmethyl)-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]-3-cyclopropylurea IUPAC Name: 1-[4-[4-(benzenesulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-cyclopropylurea Traditional Name: 1-[4-[4-(besylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]-3-cyclopropyl-urea Formula: C25H27N5O4S MolecularWeight: 493.57798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=CC=C(C=C2)C3=NC(=CC(=N3)N4CCOCC4)CS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)NC2=CC=C(C=C2)C3=NC(=CC(=N3)N4CCOCC4)CS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O4S/c31-25(28-20-10-11-20)27-19-8-6-18(7-9-19)24-26-21(16-23(29-24)30-12-14-34-15-13-30)17-35(32,33)22-4-2-1-3-5-22/h1-9,16,20H,10-15,17H2,(H2,27,28,31)