7-[2-fluoranyl-6-[4-(phenylmethyl)piperazin-1-yl]phenyl]-N4-methyl-quinazoline-2,4-diamine

Systemtic Name: 7-[2-fluoranyl-6-[4-(phenylmethyl)piperazin-1-yl]phenyl]-N4-methyl-quinazoline-2,4-diamine Openeye Name: 7-[2-(4-benzylpiperazin-1-yl)-6-fluoro-phenyl]-N4-methyl-quinazoline-2,4-diamine CAS Name: 7-[2-fluoro-6-[4-(phenylmethyl)-1-piperazinyl]phenyl]-N4-methylquinazoline-2,4-diamine IUPAC Name: 7-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]-4-N-methylquinazoline-2,4-diamine Traditional Name: [2-amino-7-[2-(4-benzylpiperazino)-6-fluoro-phenyl]quinazolin-4-yl]-methyl-amine Formula: C26H27FN6 MolecularWeight: 442.531183

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1C=CC(=C2)C3=C(C=CC=C3F)N4CCN(CC4)CC5=CC=CC=C5)N

Isomeric SMILES

CNC1=NC(=NC2=C1C=CC(=C2)C3=C(C=CC=C3F)N4CCN(CC4)CC5=CC=CC=C5)N

InChI

InChI=1S/C26H27FN6/c1-29-25-20-11-10-19(16-22(20)30-26(28)31-25)24-21(27)8-5-9-23(24)33-14-12-32(13-15-33)17-18-6-3-2-4-7-18/h2-11,16H,12-15,17H2,1H3,(H3,28,29,30,31)