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

Systemtic Name: N-[3-[2-(2-diethylaminoethylamino)-8-methyl-7-oxidanylidene-pteridin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[2-(2-diethylaminoethylamino)-8-methyl-7-oxo-pteridin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[2-(2-diethylaminoethylamino)-8-methyl-7-oxo-6-pteridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[2-(2-diethylaminoethylamino)-8-methyl-7-oxopteridin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[2-(2-diethylaminoethylamino)-7-keto-8-methyl-pteridin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C28H30F3N7O2 MolecularWeight: 553.57871

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)C)C

Isomeric SMILES

CCN(CC)CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)C)C

InChI

InChI=1S/C28H30F3N7O2/c1-5-38(6-2)13-12-32-27-33-16-22-24(36-27)37(4)26(40)23(35-22)21-15-20(11-10-17(21)3)34-25(39)18-8-7-9-19(14-18)28(29,30)31/h7-11,14-16H,5-6,12-13H2,1-4H3,(H,34,39)(H,32,33,36)