1-[[3-fluoranyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-2-yl]methyl]-1-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[[3-fluoranyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-2-yl]methyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[3-fluoro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridyl]methyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[[3-fluoro-6-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-pyridinyl]methyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[3-fluoro-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-2-yl]methyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[[3-fluoro-6-[(4-mesylpiperazino)methyl]-2-pyridyl]methyl]-1-(6-methyl-3-pyridyl)urea Formula: C19H25FN6O3S MolecularWeight: 436.503603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N(CC2=C(C=CC(=N2)CN3CCN(CC3)S(=O)(=O)C)F)C(=O)N

Isomeric SMILES

CC1=NC=C(C=C1)N(CC2=C(C=CC(=N2)CN3CCN(CC3)S(=O)(=O)C)F)C(=O)N

InChI

InChI=1S/C19H25FN6O3S/c1-14-3-5-16(11-22-14)26(19(21)27)13-18-17(20)6-4-15(23-18)12-24-7-9-25(10-8-24)30(2,28)29/h3-6,11H,7-10,12-13H2,1-2H3,(H2,21,27)