1-(3-ethylphenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]urea

Systemtic Name: 1-(3-ethylphenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]urea Openeye Name: 1-(3-ethylphenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]urea CAS Name: 1-(3-ethylphenyl)-3-[4-[4-(methylsulfonylmethyl)-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]urea IUPAC Name: 1-(3-ethylphenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea Traditional Name: 1-(3-ethylphenyl)-3-[4-[4-(mesylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]urea Formula: C25H29N5O4S MolecularWeight: 495.59386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=NC(=CC(=N3)N4CCOCC4)CS(=O)(=O)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=NC(=CC(=N3)N4CCOCC4)CS(=O)(=O)C

InChI

InChI=1S/C25H29N5O4S/c1-3-18-5-4-6-21(15-18)28-25(31)27-20-9-7-19(8-10-20)24-26-22(17-35(2,32)33)16-23(29-24)30-11-13-34-14-12-30/h4-10,15-16H,3,11-14,17H2,1-2H3,(H2,27,28,31)