3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-piperidin-4-yl]-6-nitro-1H-quinazoline-2,4-dione

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-piperidin-4-yl]-6-nitro-1H-quinazoline-2,4-dione Openeye Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-4-piperidyl]-6-nitro-1H-quinazoline-2,4-dione CAS Name: 3-[1-(6,7-dimethoxy-4-quinazolinyl)-3-ethyl-4-piperidinyl]-6-nitro-1H-quinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethylpiperidin-4-yl]-6-nitro-1H-quinazoline-2,4-dione Traditional Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-4-piperidyl]-6-nitro-1H-quinazoline-2,4-quinone Formula: C25H26N6O6 MolecularWeight: 506.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1N2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CCC1CN(CCC1N2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C25H26N6O6/c1-4-14-12-29(23-16-10-21(36-2)22(37-3)11-19(16)26-13-27-23)8-7-20(14)30-24(32)17-9-15(31(34)35)5-6-18(17)28-25(30)33/h5-6,9-11,13-14,20H,4,7-8,12H2,1-3H3,(H,28,33)