1-methyl-3-[2-(4-methylpiperazin-1-yl)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]urea

Systemtic Name: 1-methyl-3-[2-(4-methylpiperazin-1-yl)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]urea Openeye Name: 1-methyl-3-[2-(4-methylpiperazin-1-yl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]urea CAS Name: 1-methyl-3-[2-(4-methyl-1-piperazinyl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]urea IUPAC Name: 1-methyl-3-[2-(4-methylpiperazin-1-yl)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]urea Traditional Name: 1-[5-(4-keto-3H-phthalazin-1-yl)-2-(4-methylpiperazino)phenyl]-3-methyl-urea Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N4CCN(CC4)C

Isomeric SMILES

CNC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N4CCN(CC4)C

InChI

InChI=1S/C21H24N6O2/c1-22-21(29)23-17-13-14(7-8-18(17)27-11-9-26(2)10-12-27)19-15-5-3-4-6-16(15)20(28)25-24-19/h3-8,13H,9-12H2,1-2H3,(H,25,28)(H2,22,23,29)