3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-piperidin-4-yl]-1-ethyl-6,8-dinitro-quinazoline-2,4-dione

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-piperidin-4-yl]-1-ethyl-6,8-dinitro-quinazoline-2,4-dione Openeye Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-4-piperidyl]-1-ethyl-6,8-dinitro-quinazoline-2,4-dione CAS Name: 3-[1-(6,7-dimethoxy-4-quinazolinyl)-3-ethyl-4-piperidinyl]-1-ethyl-6,8-dinitroquinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethylpiperidin-4-yl]-1-ethyl-6,8-dinitroquinazoline-2,4-dione Traditional Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-3-ethyl-4-piperidyl]-1-ethyl-6,8-dinitro-quinazoline-2,4-quinone Formula: C27H29N7O8 MolecularWeight: 579.56126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1N2C(=O)C3=CC(=CC(=C3N(C2=O)CC)[N+](=O)[O-])[N+](=O)[O-])C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CCC1CN(CCC1N2C(=O)C3=CC(=CC(=C3N(C2=O)CC)[N+](=O)[O-])[N+](=O)[O-])C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C27H29N7O8/c1-5-15-13-30(25-17-11-22(41-3)23(42-4)12-19(17)28-14-29-25)8-7-20(15)32-26(35)18-9-16(33(37)38)10-21(34(39)40)24(18)31(6-2)27(32)36/h9-12,14-15,20H,5-8,13H2,1-4H3