N-(3-ethynylphenyl)-7-methoxy-6-[[(2S)-1-methylazetidin-2-yl]methoxy]quinazolin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-7-methoxy-6-[[(2S)-1-methylazetidin-2-yl]methoxy]quinazolin-4-amine Openeye Name: N-(3-ethynylphenyl)-7-methoxy-6-[[(2S)-1-methylazetidin-2-yl]methoxy]quinazolin-4-amine CAS Name: N-(3-ethynylphenyl)-7-methoxy-6-[[(2S)-1-methyl-2-azetidinyl]methoxy]-4-quinazolinamine IUPAC Name: N-(3-ethynylphenyl)-7-methoxy-6-[[(2S)-1-methylazetidin-2-yl]methoxy]quinazolin-4-amine Traditional Name: (3-ethynylphenyl)-[7-methoxy-6-[[(2S)-1-methylazetidin-2-yl]methoxy]quinazolin-4-yl]amine Formula: C22H22N4O2 MolecularWeight: 374.43568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC1COC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

Isomeric SMILES

CN1CC[C@H]1COC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

InChI

InChI=1S/C22H22N4O2/c1-4-15-6-5-7-16(10-15)25-22-18-11-21(28-13-17-8-9-26(17)2)20(27-3)12-19(18)23-14-24-22/h1,5-7,10-12,14,17H,8-9,13H2,2-3H3,(H,23,24,25)/t17-/m0/s1