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

Systemtic Name: 6-(3-azanyl-3-methyl-but-1-ynyl)-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-(3-amino-3-methyl-but-1-ynyl)-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-(3-amino-3-methylbut-1-ynyl)-N-(3-methoxy-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-(3-amino-3-methylbut-1-ynyl)-N-(3-methoxy-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: [6-(3-amino-3-methyl-but-1-ynyl)quinazolin-4-yl]-(3-methoxy-4-phenoxy-phenyl)amine Formula: C26H24N4O2 MolecularWeight: 424.49436

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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)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O2/c1-26(2,27)14-13-18-9-11-22-21(15-18)25(29-17-28-22)30-19-10-12-23(24(16-19)31-3)32-20-7-5-4-6-8-20/h4-12,15-17H,27H2,1-3H3,(H,28,29,30)