3-[(1S)-1-cyclohexyl-3-(1-phenylethylamino)propyl]-6-phenoxy-4H-quinazolin-2-amine

Systemtic Name: 3-[(1S)-1-cyclohexyl-3-(1-phenylethylamino)propyl]-6-phenoxy-4H-quinazolin-2-amine Openeye Name: 3-[(1S)-1-cyclohexyl-3-(1-phenylethylamino)propyl]-6-phenoxy-4H-quinazolin-2-amine CAS Name: 3-[(1S)-1-cyclohexyl-3-(1-phenylethylamino)propyl]-6-phenoxy-4H-quinazolin-2-amine IUPAC Name: 3-[(1S)-1-cyclohexyl-3-(1-phenylethylamino)propyl]-6-phenoxy-4H-quinazolin-2-amine Traditional Name: [(3S)-3-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-3-cyclohexyl-propyl]-(1-phenylethyl)amine Formula: C31H38N4O MolecularWeight: 482.65962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCCC(C2CCCCC2)N3CC4=C(C=CC(=C4)OC5=CC=CC=C5)N=C3N

Isomeric SMILES

CC(C1=CC=CC=C1)NCC[C@@H](C2CCCCC2)N3CC4=C(C=CC(=C4)OC5=CC=CC=C5)N=C3N

InChI

InChI=1S/C31H38N4O/c1-23(24-11-5-2-6-12-24)33-20-19-30(25-13-7-3-8-14-25)35-22-26-21-28(17-18-29(26)34-31(35)32)36-27-15-9-4-10-16-27/h2,4-6,9-12,15-18,21,23,25,30,33H,3,7-8,13-14,19-20,22H2,1H3,(H2,32,34)/t23?,30-/m0/s1