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

Systemtic Name: 6-(3-azanyl-3-methyl-but-1-ynyl)-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-(3-amino-3-methyl-but-1-ynyl)-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-(3-amino-3-methylbut-1-ynyl)-N-(3-methyl-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-(3-amino-3-methylbut-1-ynyl)-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: [6-(3-amino-3-methyl-but-1-ynyl)quinazolin-4-yl]-(3-methyl-4-phenoxy-phenyl)amine Formula: C26H24N4O MolecularWeight: 408.49496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(C)(C)N)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(C)(C)N)OC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O/c1-18-15-20(10-12-24(18)31-21-7-5-4-6-8-21)30-25-22-16-19(13-14-26(2,3)27)9-11-23(22)28-17-29-25/h4-12,15-17H,27H2,1-3H3,(H,28,29,30)