6-(3-azanyl-3-methyl-but-1-ynyl)-N-(3-chloranyl-4-phenoxy-phenyl)quinazolin-4-amine

Systemtic Name: 6-(3-azanyl-3-methyl-but-1-ynyl)-N-(3-chloranyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-(3-amino-3-methyl-but-1-ynyl)-N-(3-chloro-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-(3-amino-3-methylbut-1-ynyl)-N-(3-chloro-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-(3-amino-3-methylbut-1-ynyl)-N-(3-chloro-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: [6-(3-amino-3-methyl-but-1-ynyl)quinazolin-4-yl]-(3-chloro-4-phenoxy-phenyl)amine Formula: C25H21ClN4O MolecularWeight: 428.91344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl)N

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl)N

InChI

InChI=1S/C25H21ClN4O/c1-25(2,27)13-12-17-8-10-22-20(14-17)24(29-16-28-22)30-18-9-11-23(21(26)15-18)31-19-6-4-3-5-7-19/h3-11,14-16H,27H2,1-2H3,(H,28,29,30)