6-[3-(dimethylamino)prop-1-ynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine

Systemtic Name: 6-[3-(dimethylamino)prop-1-ynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-[3-(dimethylamino)prop-1-ynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-[3-(dimethylamino)prop-1-ynyl]-N-(3-methyl-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[3-(dimethylamino)prop-1-ynyl]-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: dimethyl-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]amine Formula: C26H24N4O MolecularWeight: 408.49496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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