2-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-7-[3-(4-methylpiperazin-1-yl)but-1-ynyl]-4H-quinazoline-4,6-diamine

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-7-[3-(4-methylpiperazin-1-yl)but-1-ynyl]-4H-quinazoline-4,6-diamine Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-3-methyl-7-[3-(4-methylpiperazin-1-yl)but-1-ynyl]-4H-quinazoline-4,6-diamine CAS Name: 2-(3-chloro-4-fluorophenyl)-3-methyl-7-[3-(4-methyl-1-piperazinyl)but-1-ynyl]-4H-quinazoline-4,6-diamine IUPAC Name: 2-(3-chloro-4-fluorophenyl)-3-methyl-7-[3-(4-methylpiperazin-1-yl)but-1-ynyl]-4H-quinazoline-4,6-diamine Traditional Name: [4-amino-2-(3-chloro-4-fluoro-phenyl)-3-methyl-7-[3-(4-methylpiperazino)but-1-ynyl]-4H-quinazolin-6-yl]amine Formula: C24H28ClFN6 MolecularWeight: 454.970723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC2=C(C=C1N)C(N(C(=N2)C3=CC(=C(C=C3)F)Cl)C)N)N4CCN(CC4)C

Isomeric SMILES

CC(C#CC1=CC2=C(C=C1N)C(N(C(=N2)C3=CC(=C(C=C3)F)Cl)C)N)N4CCN(CC4)C

InChI

InChI=1S/C24H28ClFN6/c1-15(32-10-8-30(2)9-11-32)4-5-16-13-22-18(14-21(16)27)23(28)31(3)24(29-22)17-6-7-20(26)19(25)12-17/h6-7,12-15,23H,8-11,27-28H2,1-3H3