3-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxypropyl methanesulfonate

Systemtic Name: 3-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxypropyl methanesulfonate Openeye Name: 3-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxypropyl methanesulfonate CAS Name: methanesulfonic acid 3-[[6-nitro-4-(1-phenylethylamino)-7-quinazolinyl]oxy]propyl ester IUPAC Name: 3-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxypropyl methanesulfonate Traditional Name: methanesulfonic acid 3-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxypropyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O6S/c1-14(15-7-4-3-5-8-15)23-20-16-11-18(24(25)26)19(12-17(16)21-13-22-20)29-9-6-10-30-31(2,27)28/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H,21,22,23)