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

Systemtic Name: 1-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]-3-pentyl-urea Openeye Name: 1-[4-[4-(methylsulfonylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]-3-pentyl-urea CAS Name: 1-[4-[4-(methylsulfonylmethyl)-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]-3-pentylurea IUPAC Name: 1-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-pentylurea Traditional Name: 1-amyl-3-[4-[4-(mesylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]urea Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCOCC3)CS(=O)(=O)C

Isomeric SMILES

CCCCCNC(=O)NC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCOCC3)CS(=O)(=O)C

InChI

InChI=1S/C22H31N5O4S/c1-3-4-5-10-23-22(28)25-18-8-6-17(7-9-18)21-24-19(16-32(2,29)30)15-20(26-21)27-11-13-31-14-12-27/h6-9,15H,3-5,10-14,16H2,1-2H3,(H2,23,25,28)