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

Systemtic Name: N-(3-methyl-4-pyridin-3-yloxy-phenyl)-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-methyl-4-(3-pyridyloxy)phenyl]-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine CAS Name: N-[3-methyl-4-(3-pyridinyloxy)phenyl]-6-[2-(3-pyrrolidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine Traditional Name: [3-methyl-4-(3-pyridyloxy)phenyl]-[6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-yl]amine Formula: C26H23N5O MolecularWeight: 421.49372

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H23N5O/c1-18-13-21(7-9-25(18)32-22-3-2-11-27-16-22)31-26-23-14-19(4-5-20-10-12-28-15-20)6-8-24(23)29-17-30-26/h2-3,6-9,11,13-14,16-17,20,28H,10,12,15H2,1H3,(H,29,30,31)