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

Systemtic Name: N-[4-methyl-3-[8-methyl-7-oxidanylidene-2-(propan-2-ylamino)pteridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[2-(isopropylamino)-8-methyl-7-oxo-pteridin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-[8-methyl-7-oxo-2-(propan-2-ylamino)-6-pteridinyl]phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-methyl-3-[8-methyl-7-oxo-2-(propan-2-ylamino)pteridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[2-(isopropylamino)-7-keto-8-methyl-pteridin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C25H23F3N6O2 MolecularWeight: 496.48433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=NC4=CN=C(N=C4N(C3=O)C)NC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=NC4=CN=C(N=C4N(C3=O)C)NC(C)C

InChI

InChI=1S/C25H23F3N6O2/c1-13(2)30-24-29-12-19-21(33-24)34(4)23(36)20(32-19)18-11-17(9-8-14(18)3)31-22(35)15-6-5-7-16(10-15)25(26,27)28/h5-13H,1-4H3,(H,31,35)(H,29,30,33)