1-[2-fluoranyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyrimidin-4-yl-urea

Systemtic Name: 1-[2-fluoranyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyrimidin-4-yl-urea Openeye Name: 1-[2-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyrimidin-4-yl-urea CAS Name: 1-[2-fluoro-3-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]-3-(4-pyrimidinyl)urea IUPAC Name: 1-[2-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyrimidin-4-ylurea Traditional Name: 1-[2-fluoro-3-[(4-mesylpiperazino)methyl]phenyl]-3-(4-pyrimidyl)urea Formula: C17H21FN6O3S MolecularWeight: 408.450443

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=C(C(=CC=C2)NC(=O)NC3=NC=NC=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=C(C(=CC=C2)NC(=O)NC3=NC=NC=C3)F

InChI

InChI=1S/C17H21FN6O3S/c1-28(26,27)24-9-7-23(8-10-24)11-13-3-2-4-14(16(13)18)21-17(25)22-15-5-6-19-12-20-15/h2-6,12H,7-11H2,1H3,(H2,19,20,21,22,25)