N4-[2-[(3-azanyl-4-phenylazanyl-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]-N1-phenyl-benzene-1,2,4-triamine

Systemtic Name: N4-[2-[(3-azanyl-4-phenylazanyl-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]-N1-phenyl-benzene-1,2,4-triamine Openeye Name: N4-[2-(3-amino-4-anilino-anilino)-5-fluoro-pyrimidin-4-yl]-N1-phenyl-benzene-1,2,4-triamine CAS Name: N4-[2-(3-amino-4-anilinoanilino)-5-fluoro-4-pyrimidinyl]-N1-phenylbenzene-1,2,4-triamine IUPAC Name: 4-N-[2-(3-amino-4-anilinoanilino)-5-fluoropyrimidin-4-yl]-1-N-phenylbenzene-1,2,4-triamine Traditional Name: [2-amino-4-[[2-(3-amino-4-anilino-anilino)-5-fluoro-pyrimidin-4-yl]amino]phenyl]-phenyl-amine Formula: C28H25FN8 MolecularWeight: 492.550103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=C(C=C4)NC5=CC=CC=C5)N)N

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=C(C=C4)NC5=CC=CC=C5)N)N

InChI

InChI=1S/C28H25FN8/c29-22-17-32-28(36-21-12-14-26(24(31)16-21)34-19-9-5-2-6-10-19)37-27(22)35-20-11-13-25(23(30)15-20)33-18-7-3-1-4-8-18/h1-17,33-34H,30-31H2,(H2,32,35,36,37)