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

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-ethyl-6,8-dinitro-quinazoline-2,4-dione Openeye Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-1-ethyl-6,8-dinitro-quinazoline-2,4-dione CAS Name: 3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-1-ethyl-6,8-dinitroquinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-ethyl-6,8-dinitroquinazoline-2,4-dione Traditional Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-1-ethyl-6,8-dinitro-quinazoline-2,4-quinone Formula: C25H25N7O8 MolecularWeight: 551.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2C(=O)N(C1=O)C3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2C(=O)N(C1=O)C3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H25N7O8/c1-4-29-22-17(9-15(31(35)36)10-19(22)32(37)38)24(33)30(25(29)34)14-5-7-28(8-6-14)23-16-11-20(39-2)21(40-3)12-18(16)26-13-27-23/h9-14H,4-8H2,1-3H3