3,5-bis(oxidanyl)-1-(2-oxidanylpyrrolidin-1-yl)-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxy-hexan-1-one

Systemtic Name: 3,5-bis(oxidanyl)-1-(2-oxidanylpyrrolidin-1-yl)-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxy-hexan-1-one Openeye Name: 3,5-dihydroxy-1-(2-hydroxypyrrolidin-1-yl)-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxy-hexan-1-one CAS Name: 3,5-dihydroxy-1-(2-hydroxy-1-pyrrolidinyl)-6-[[4-(1-phenylethylamino)-6-quinazolinyl]oxy]-1-hexanone IUPAC Name: 3,5-dihydroxy-1-(2-hydroxypyrrolidin-1-yl)-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexan-1-one Traditional Name: 3,5-dihydroxy-1-(2-hydroxypyrrolidino)-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxy-hexan-1-one Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)OCC(CC(CC(=O)N4CCCC4O)O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)OCC(CC(CC(=O)N4CCCC4O)O)O

InChI

InChI=1S/C26H32N4O5/c1-17(18-6-3-2-4-7-18)29-26-22-14-21(9-10-23(22)27-16-28-26)35-15-20(32)12-19(31)13-25(34)30-11-5-8-24(30)33/h2-4,6-7,9-10,14,16-17,19-20,24,31-33H,5,8,11-13,15H2,1H3,(H,27,28,29)