N-[3-[2-(4-ethylpiperazin-1-yl)-8-methyl-7-oxidanylidene-pteridin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[2-(4-ethylpiperazin-1-yl)-8-methyl-7-oxidanylidene-pteridin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[2-(4-ethylpiperazin-1-yl)-8-methyl-7-oxo-pteridin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[2-(4-ethyl-1-piperazinyl)-8-methyl-7-oxo-6-pteridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[2-(4-ethylpiperazin-1-yl)-8-methyl-7-oxopteridin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[2-(4-ethylpiperazino)-7-keto-8-methyl-pteridin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C28H28F3N7O2 MolecularWeight: 551.56283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)C)C

InChI

InChI=1S/C28H28F3N7O2/c1-4-37-10-12-38(13-11-37)27-32-16-22-24(35-27)36(3)26(40)23(34-22)21-15-20(9-8-17(21)2)33-25(39)18-6-5-7-19(14-18)28(29,30)31/h5-9,14-16H,4,10-13H2,1-3H3,(H,33,39)