3,5-bis(oxidanyl)-1-(4-oxidanylpiperidin-1-yl)-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxy-hexan-1-one

Systemtic Name: 3,5-bis(oxidanyl)-1-(4-oxidanylpiperidin-1-yl)-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxy-hexan-1-one Openeye Name: 3,5-dihydroxy-1-(4-hydroxy-1-piperidyl)-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxy-hexan-1-one CAS Name: 3,5-dihydroxy-1-(4-hydroxy-1-piperidinyl)-6-[[4-(1-phenylethylamino)-6-quinazolinyl]oxy]-1-hexanone IUPAC Name: 3,5-dihydroxy-1-(4-hydroxypiperidin-1-yl)-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexan-1-one Traditional Name: 3,5-dihydroxy-1-(4-hydroxypiperidino)-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxy-hexan-1-one Formula: C27H34N4O5 MolecularWeight: 494.58266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)OCC(CC(CC(=O)N4CCC(CC4)O)O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)OCC(CC(CC(=O)N4CCC(CC4)O)O)O

InChI

InChI=1S/C27H34N4O5/c1-18(19-5-3-2-4-6-19)30-27-24-15-23(7-8-25(24)28-17-29-27)36-16-22(34)13-21(33)14-26(35)31-11-9-20(32)10-12-31/h2-8,15,17-18,20-22,32-34H,9-14,16H2,1H3,(H,28,29,30)