N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(3-pyrrolidin-1-ylpropyl)quinazoline-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(3-pyrrolidin-1-ylpropyl)quinazoline-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-(3-pyrrolidin-1-ylpropyl)quinazoline-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-[3-(1-pyrrolidinyl)propyl]quinazoline-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-(3-pyrrolidin-1-ylpropyl)quinazoline-4,6-diamine Traditional Name: [4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-(3-pyrrolidinopropyl)amine Formula: C21H23ClFN5 MolecularWeight: 399.892223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)CCCNC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H23ClFN5/c22-18-13-16(4-6-19(18)23)27-21-17-12-15(5-7-20(17)25-14-26-21)24-8-3-11-28-9-1-2-10-28/h4-7,12-14,24H,1-3,8-11H2,(H,25,26,27)