N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-pyridin-3-yl-quinazolin-4-amine

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-pyridin-3-yl-quinazolin-4-amine Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-2-(3-pyridyl)quinazolin-4-amine CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-(3-pyridinyl)-4-quinazolinamine IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine Traditional Name: [(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-[2-(3-pyridyl)quinazolin-4-yl]amine Formula: C26H28N5O+ MolecularWeight: 426.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C26H27N5O/c1-19-8-10-20(11-9-19)24(18-31-13-15-32-16-14-31)29-26-22-6-2-3-7-23(22)28-25(30-26)21-5-4-12-27-17-21/h2-12,17,24H,13-16,18H2,1H3,(H,28,29,30)/p+1/t24-/m0/s1