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

Systemtic Name: [4-[(5-fluoranyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]methylazanium Openeye Name: [4-[(4-anilino-5-fluoro-pyrimidin-2-yl)amino]phenyl]methylammonium CAS Name: [4-[(4-anilino-5-fluoro-2-pyrimidinyl)amino]phenyl]methylammonium IUPAC Name: [4-[(4-anilino-5-fluoropyrimidin-2-yl)amino]phenyl]methylazanium Traditional Name: [4-[(4-anilino-5-fluoro-pyrimidin-2-yl)amino]benzyl]ammonium Formula: C17H17FN5+ MolecularWeight: 310.348783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C17H16FN5/c18-15-11-20-17(22-14-8-6-12(10-19)7-9-14)23-16(15)21-13-4-2-1-3-5-13/h1-9,11H,10,19H2,(H2,20,21,22,23)/p+1