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

Systemtic Name: N-[4-methyl-3-[1-methyl-7-(2-methylprop-2-enylamino)-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[4-methyl-3-[1-methyl-7-(2-methylallylamino)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-[1-methyl-7-(2-methylprop-2-enylamino)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-methyl-3-[1-methyl-7-(2-methylprop-2-enylamino)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[2-keto-1-methyl-7-(2-methylallylamino)-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C26H25F3N6O2 MolecularWeight: 510.51091

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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)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)C

InChI

InChI=1S/C26H25F3N6O2/c1-15(2)12-30-24-31-13-18-14-35(25(37)34(4)22(18)33-24)21-11-20(9-8-16(21)3)32-23(36)17-6-5-7-19(10-17)26(27,28)29/h5-11,13H,1,12,14H2,2-4H3,(H,32,36)(H,30,31,33)