3-[1-(6,7-diethoxy-2-morpholin-4-yl-quinazolin-4-yl)piperidin-4-yl]-6-nitro-1H-quinazoline-2,4-dione

Systemtic Name: 3-[1-(6,7-diethoxy-2-morpholin-4-yl-quinazolin-4-yl)piperidin-4-yl]-6-nitro-1H-quinazoline-2,4-dione Openeye Name: 3-[1-(6,7-diethoxy-2-morpholino-quinazolin-4-yl)-4-piperidyl]-6-nitro-1H-quinazoline-2,4-dione CAS Name: 3-[1-[6,7-diethoxy-2-(4-morpholinyl)-4-quinazolinyl]-4-piperidinyl]-6-nitro-1H-quinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-diethoxy-2-morpholin-4-ylquinazolin-4-yl)piperidin-4-yl]-6-nitro-1H-quinazoline-2,4-dione Traditional Name: 3-[1-(6,7-diethoxy-2-morpholino-quinazolin-4-yl)-4-piperidyl]-6-nitro-1H-quinazoline-2,4-quinone Formula: C29H33N7O7 MolecularWeight: 591.61502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOCC3)N4CCC(CC4)N5C(=O)C6=C(C=CC(=C6)[N+](=O)[O-])NC5=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOCC3)N4CCC(CC4)N5C(=O)C6=C(C=CC(=C6)[N+](=O)[O-])NC5=O)OCC

InChI

InChI=1S/C29H33N7O7/c1-3-42-24-16-20-23(17-25(24)43-4-2)30-28(34-11-13-41-14-12-34)32-26(20)33-9-7-18(8-10-33)35-27(37)21-15-19(36(39)40)5-6-22(21)31-29(35)38/h5-6,15-18H,3-4,7-14H2,1-2H3,(H,31,38)