2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-10-methyl-3-phenethyl-pyrimido[4,5-b]quinoline-4,5-dione

Systemtic Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-10-methyl-3-phenethyl-pyrimido[4,5-b]quinoline-4,5-dione Openeye Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-10-methyl-3-phenethyl-pyrimido[4,5-b]quinoline-4,5-dione CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-10-methyl-3-phenethylpyrimido[4,5-b]quinoline-4,5-dione IUPAC Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-10-methyl-3-phenethylpyrimido[4,5-b]quinoline-4,5-dione Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-10-methyl-3-phenethyl-pyrimido[4,5-b]quinoline-4,5-quinone Formula: C27H32N5O2+ MolecularWeight: 458.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2/c1-3-30-15-17-31(18-16-30)19-23-28-26-24(25(33)21-11-7-8-12-22(21)29(26)2)27(34)32(23)14-13-20-9-5-4-6-10-20/h4-12H,3,13-19H2,1-2H3/p+1