6-methyl-11-[2-(4-methylpiperazin-1-yl)ethanoyl]-11-oxidanidyl-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-11-ium-5-one

Systemtic Name: 6-methyl-11-[2-(4-methylpiperazin-1-yl)ethanoyl]-11-oxidanidyl-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-11-ium-5-one Openeye Name: 6-methyl-11-[2-(4-methylpiperazin-1-yl)acetyl]-11-oxido-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-11-ium-5-one CAS Name: 6-methyl-11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-11-oxido-2-phenyl-5-pyrimido[4,5-b][1,5]benzodiazepin-11-iumone IUPAC Name: 6-methyl-11-[2-(4-methylpiperazin-1-yl)acetyl]-11-oxido-2-phenylpyrimido[4,5-b][1,5]benzodiazepin-11-ium-5-one Traditional Name: 6-methyl-11-[2-(4-methylpiperazino)acetyl]-11-oxido-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-11-ium-5-one Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)[N+]2(C3=CC=CC=C3N(C(=O)C4=CN=C(N=C42)C5=CC=CC=C5)C)[O-]

Isomeric SMILES

CN1CCN(CC1)CC(=O)[N+]2(C3=CC=CC=C3N(C(=O)C4=CN=C(N=C42)C5=CC=CC=C5)C)[O-]

InChI

InChI=1S/C25H26N6O3/c1-28-12-14-30(15-13-28)17-22(32)31(34)21-11-7-6-10-20(21)29(2)25(33)19-16-26-23(27-24(19)31)18-8-4-3-5-9-18/h3-11,16H,12-15,17H2,1-2H3