4-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl methanesulfonate

Systemtic Name: 4-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl methanesulfonate Openeye Name: 4-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl methanesulfonate CAS Name: methanesulfonic acid 4-[[6-nitro-4-(1-phenylethylamino)-7-quinazolinyl]oxy]butyl ester IUPAC Name: 4-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl methanesulfonate Traditional Name: methanesulfonic acid 4-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl ester Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCCCOS(=O)(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCCCOS(=O)(=O)C

InChI

InChI=1S/C21H24N4O6S/c1-15(16-8-4-3-5-9-16)24-21-17-12-19(25(26)27)20(13-18(17)22-14-23-21)30-10-6-7-11-31-32(2,28)29/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H,22,23,24)