[4-[(5-fluoranyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]methylcarbamic acid

Systemtic Name: [4-[(5-fluoranyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]methylcarbamic acid Openeye Name: [4-[(4-anilino-5-fluoro-pyrimidin-2-yl)amino]phenyl]methylcarbamic acid CAS Name: [4-[(4-anilino-5-fluoro-2-pyrimidinyl)amino]phenyl]methylcarbamic acid IUPAC Name: [4-[(4-anilino-5-fluoropyrimidin-2-yl)amino]phenyl]methylcarbamic acid Traditional Name: [4-[(4-anilino-5-fluoro-pyrimidin-2-yl)amino]benzyl]carbamic acid Formula: C18H16FN5O2 MolecularWeight: 353.350343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)CNC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)CNC(=O)O

InChI

InChI=1S/C18H16FN5O2/c19-15-11-20-17(24-16(15)22-13-4-2-1-3-5-13)23-14-8-6-12(7-9-14)10-21-18(25)26/h1-9,11,21H,10H2,(H,25,26)(H2,20,22,23,24)