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

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-piperidin-4-yl]-1-methyl-6-nitro-quinazoline-2,4-dione Openeye Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-4-piperidyl]-1-methyl-6-nitro-quinazoline-2,4-dione CAS Name: 3-[1-(6,7-dimethoxy-4-quinazolinyl)-3-ethyl-4-piperidinyl]-1-methyl-6-nitroquinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethylpiperidin-4-yl]-1-methyl-6-nitroquinazoline-2,4-dione Traditional Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-4-piperidyl]-1-methyl-6-nitro-quinazoline-2,4-quinone Formula: C26H28N6O6 MolecularWeight: 520.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1N2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CCC1CN(CCC1N2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C26H28N6O6/c1-5-15-13-30(24-17-11-22(37-3)23(38-4)12-19(17)27-14-28-24)9-8-20(15)31-25(33)18-10-16(32(35)36)6-7-21(18)29(2)26(31)34/h6-7,10-12,14-15,20H,5,8-9,13H2,1-4H3