N-(3-fluorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine

Systemtic Name: N-(3-fluorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Openeye Name: N-(3-fluorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine CAS Name: N-(3-fluorophenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: N-(3-fluorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Traditional Name: (3-fluorophenyl)-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amine Formula: C23H22FN7 MolecularWeight: 415.466083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC=C4)F)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC=C4)F)C5=NC=CC=N5

InChI

InChI=1S/C23H22FN7/c24-17-5-3-6-18(15-17)27-22-19-7-1-2-8-20(19)28-21(29-22)16-30-11-13-31(14-12-30)23-25-9-4-10-26-23/h1-10,15H,11-14,16H2,(H,27,28,29)