N-(3-methyl-4-phenoxy-phenyl)-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine

Systemtic Name: N-(3-methyl-4-phenoxy-phenyl)-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine Openeye Name: N-(3-methyl-4-phenoxy-phenyl)-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine CAS Name: N-(3-methyl-4-phenoxyphenyl)-6-[2-(3-pyrrolidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-4-phenoxyphenyl)-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine Traditional Name: (3-methyl-4-phenoxy-phenyl)-[6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-yl]amine Formula: C27H24N4O MolecularWeight: 420.50566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCNC4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCNC4)OC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O/c1-19-15-22(10-12-26(19)32-23-5-3-2-4-6-23)31-27-24-16-20(7-8-21-13-14-28-17-21)9-11-25(24)29-18-30-27/h2-6,9-12,15-16,18,21,28H,13-14,17H2,1H3,(H,29,30,31)