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

Systemtic Name: N-[4-methyl-3-[8-methyl-7-oxidanylidene-2-(pyridin-4-ylmethylamino)pteridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[4-methyl-3-[8-methyl-7-oxo-2-(4-pyridylmethylamino)pteridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-[8-methyl-7-oxo-2-(pyridin-4-ylmethylamino)-6-pteridinyl]phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-methyl-3-[8-methyl-7-oxo-2-(pyridin-4-ylmethylamino)pteridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[7-keto-8-methyl-2-(4-pyridylmethylamino)pteridin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C28H22F3N7O2 MolecularWeight: 545.51519

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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)NCC5=CC=NC=C5

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)NCC5=CC=NC=C5

InChI

InChI=1S/C28H22F3N7O2/c1-16-6-7-20(35-25(39)18-4-3-5-19(12-18)28(29,30)31)13-21(16)23-26(40)38(2)24-22(36-23)15-34-27(37-24)33-14-17-8-10-32-11-9-17/h3-13,15H,14H2,1-2H3,(H,35,39)(H,33,34,37)