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

Systemtic Name: 1-(2-azanylpropyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-quinazoline-2,4-dione Openeye Name: 1-(2-aminopropyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-dione CAS Name: 1-(2-aminopropyl)-3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-6-nitroquinazoline-2,4-dione IUPAC Name: 1-(2-aminopropyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitroquinazoline-2,4-dione Traditional Name: 1-(2-aminopropyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-quinone Formula: C26H29N7O6 MolecularWeight: 535.55176

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC)N

Isomeric SMILES

CC(CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC)N

InChI

InChI=1S/C26H29N7O6/c1-15(27)13-31-21-5-4-17(33(36)37)10-19(21)25(34)32(26(31)35)16-6-8-30(9-7-16)24-18-11-22(38-2)23(39-3)12-20(18)28-14-29-24/h4-5,10-12,14-16H,6-9,13,27H2,1-3H3