3-[(1S)-4-[cyclohexyl(methyl)amino]-1-phenyl-butyl]-6-phenoxy-4H-quinazolin-2-amine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(C1=CC=CC=C1)N2CC3=C(C=CC(=C3)OC4=CC=CC=C4)N=C2N)C5CCCCC5

Isomeric SMILES

CN(CCC[C@@H](C1=CC=CC=C1)N2CC3=C(C=CC(=C3)OC4=CC=CC=C4)N=C2N)C5CCCCC5

InChI

InChI=1S/C31H38N4O/c1-34(26-14-7-3-8-15-26)21-11-18-30(24-12-5-2-6-13-24)35-23-25-22-28(19-20-29(25)33-31(35)32)36-27-16-9-4-10-17-27/h2,4-6,9-10,12-13,16-17,19-20,22,26,30H,3,7-8,11,14-15,18,21,23H2,1H3,(H2,32,33)/t30-/m0/s1