1-[3-fluoranyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[3-fluoranyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-fluoro-5-[(4-methyl-1-piperazinyl)methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-fluoro-5-[(4-methylpiperazino)methyl]phenyl]-3-(6-methyl-3-pyridyl)urea Formula: C19H24FN5O MolecularWeight: 357.425163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)CN3CCN(CC3)C)F

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)CN3CCN(CC3)C)F

InChI

InChI=1S/C19H24FN5O/c1-14-3-4-17(12-21-14)22-19(26)23-18-10-15(9-16(20)11-18)13-25-7-5-24(2)6-8-25/h3-4,9-12H,5-8,13H2,1-2H3,(H2,22,23,26)