3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione; 2-oxidanylbutanedioic acid

Systemtic Name: 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione; 2-oxidanylbutanedioic acid Openeye Name: 2-hydroxybutanedioic acid; 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione CAS Name: 2-hydroxybutanedioic acid; 3-(1H-indol-3-yl)-4-[2-(4-methyl-1-piperazinyl)-4-quinazolinyl]pyrrole-2,5-dione IUPAC Name: 2-hydroxybutanedioic acid; 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazino)quinazolin-4-yl]-3-pyrroline-2,5-quinone; malic acid Formula: C29H28N6O7 MolecularWeight: 572.56862

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C25H22N6O2.C4H6O5/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18;5-2(4(8)9)1-3(6)7/h2-9,14,26H,10-13H2,1H3,(H,29,32,33);2,5H,1H2,(H,6,7)(H,8,9)