N-[2,5-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2,5-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2,5-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-yl]pyrrol-1-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2,5-dimethyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolyl]-1-pyrrolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2,5-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]pyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2,5-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-yl]pyrrol-1-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C24H28N7O2S+ MolecularWeight: 478.58982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C4=CSC(=N4)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C4=CSC(=N4)N5CC[NH+](CC5)C

InChI

InChI=1S/C24H27N7O2S/c1-15-13-19(20-14-34-24(25-20)30-11-9-28(3)10-12-30)16(2)31(15)27-22(32)21-17-7-5-6-8-18(17)23(33)29(4)26-21/h5-8,13-14H,9-12H2,1-4H3,(H,27,32)/p+1