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

Systemtic Name: 1-(2-azanylethyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-quinazoline-2,4-dione Openeye Name: 1-(2-aminoethyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-dione CAS Name: 1-(2-aminoethyl)-3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-6-nitroquinazoline-2,4-dione IUPAC Name: 1-(2-aminoethyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitroquinazoline-2,4-dione Traditional Name: 1-(2-aminoethyl)-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-quinone Formula: C25H27N7O6 MolecularWeight: 521.52518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])N(C4=O)CCN)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])N(C4=O)CCN)OC

InChI

InChI=1S/C25H27N7O6/c1-37-21-12-17-19(13-22(21)38-2)27-14-28-23(17)29-8-5-15(6-9-29)31-24(33)18-11-16(32(35)36)3-4-20(18)30(10-7-26)25(31)34/h3-4,11-15H,5-10,26H2,1-2H3