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

Systemtic Name: 3-[(1S)-1-cyclohexyl-3-(cyclohexylmethylamino)propyl]-6-phenoxy-4H-quinazolin-2-amine Openeye Name: 3-[(1S)-1-cyclohexyl-3-(cyclohexylmethylamino)propyl]-6-phenoxy-4H-quinazolin-2-amine CAS Name: 3-[(1S)-1-cyclohexyl-3-(cyclohexylmethylamino)propyl]-6-phenoxy-4H-quinazolin-2-amine IUPAC Name: 3-[(1S)-1-cyclohexyl-3-(cyclohexylmethylamino)propyl]-6-phenoxy-4H-quinazolin-2-amine Traditional Name: [(3S)-3-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-3-cyclohexyl-propyl]-(cyclohexylmethyl)amine Formula: C30H42N4O MolecularWeight: 474.68068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNCCC(C2CCCCC2)N3CC4=C(C=CC(=C4)OC5=CC=CC=C5)N=C3N

Isomeric SMILES

C1CCC(CC1)CNCC[C@@H](C2CCCCC2)N3CC4=C(C=CC(=C4)OC5=CC=CC=C5)N=C3N

InChI

InChI=1S/C30H42N4O/c31-30-33-28-17-16-27(35-26-14-8-3-9-15-26)20-25(28)22-34(30)29(24-12-6-2-7-13-24)18-19-32-21-23-10-4-1-5-11-23/h3,8-9,14-17,20,23-24,29,32H,1-2,4-7,10-13,18-19,21-22H2,(H2,31,33)/t29-/m0/s1