N-(3-methyl-4-phenoxy-phenyl)-6-(3-thiomorpholin-4-ylprop-1-ynyl)quinazolin-4-amine

Systemtic Name: N-(3-methyl-4-phenoxy-phenyl)-6-(3-thiomorpholin-4-ylprop-1-ynyl)quinazolin-4-amine Openeye Name: N-(3-methyl-4-phenoxy-phenyl)-6-(3-thiomorpholinoprop-1-ynyl)quinazolin-4-amine CAS Name: N-(3-methyl-4-phenoxyphenyl)-6-(3-thiomorpholin-4-ylprop-1-ynyl)-4-quinazolinamine IUPAC Name: N-(3-methyl-4-phenoxyphenyl)-6-(3-thiomorpholin-4-ylprop-1-ynyl)quinazolin-4-amine Traditional Name: (3-methyl-4-phenoxy-phenyl)-[6-(3-thiomorpholinoprop-1-ynyl)quinazolin-4-yl]amine Formula: C28H26N4OS MolecularWeight: 466.59724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCSCC4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCSCC4)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N4OS/c1-21-18-23(10-12-27(21)33-24-7-3-2-4-8-24)31-28-25-19-22(9-11-26(25)29-20-30-28)6-5-13-32-14-16-34-17-15-32/h2-4,7-12,18-20H,13-17H2,1H3,(H,29,30,31)