6-[3-(2,6-dimethylpiperazin-1-yl)prop-1-ynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine

Systemtic Name: 6-[3-(2,6-dimethylpiperazin-1-yl)prop-1-ynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-[3-(2,6-dimethylpiperazin-1-yl)prop-1-ynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-[3-(2,6-dimethyl-1-piperazinyl)prop-1-ynyl]-N-(3-methyl-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[3-(2,6-dimethylpiperazin-1-yl)prop-1-ynyl]-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: [6-[3-(2,6-dimethylpiperazino)prop-1-ynyl]quinazolin-4-yl]-(3-methyl-4-phenoxy-phenyl)amine Formula: C30H31N5O MolecularWeight: 477.60004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC(N1CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)C)C

Isomeric SMILES

CC1CNCC(N1CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)C)C

InChI

InChI=1S/C30H31N5O/c1-21-16-25(12-14-29(21)36-26-9-5-4-6-10-26)34-30-27-17-24(11-13-28(27)32-20-33-30)8-7-15-35-22(2)18-31-19-23(35)3/h4-6,9-14,16-17,20,22-23,31H,15,18-19H2,1-3H3,(H,32,33,34)