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

Systemtic Name: 1-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]-3-propyl-urea Openeye Name: 1-[4-[4-(methylsulfonylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]-3-propyl-urea CAS Name: 1-[4-[4-(methylsulfonylmethyl)-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]-3-propylurea IUPAC Name: 1-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-propylurea Traditional Name: 1-[4-[4-(mesylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]-3-propyl-urea Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4S/c1-3-8-21-20(26)23-16-6-4-15(5-7-16)19-22-17(14-30(2,27)28)13-18(24-19)25-9-11-29-12-10-25/h4-7,13H,3,8-12,14H2,1-2H3,(H2,21,23,26)