N-[4-methyl-3-[1-methyl-2-oxidanylidene-7-(prop-2-enylamino)-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[4-methyl-3-[1-methyl-2-oxidanylidene-7-(prop-2-enylamino)-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[7-(allylamino)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-[1-methyl-2-oxo-7-(prop-2-enylamino)-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-methyl-3-[1-methyl-2-oxo-7-(prop-2-enylamino)-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[7-(allylamino)-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-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)N3CC4=CN=C(N=C4N(C3=O)C)NCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NCC=C

InChI

InChI=1S/C25H23F3N6O2/c1-4-10-29-23-30-13-17-14-34(24(36)33(3)21(17)32-23)20-12-19(9-8-15(20)2)31-22(35)16-6-5-7-18(11-16)25(26,27)28/h4-9,11-13H,1,10,14H2,2-3H3,(H,31,35)(H,29,30,32)