N-[3-[8-[2,6-bis(fluoranyl)phenyl]-2-(methylamino)-7-oxidanylidene-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[8-[2,6-bis(fluoranyl)phenyl]-2-(methylamino)-7-oxidanylidene-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide Openeye Name: N-[3-[8-(2,6-difluorophenyl)-2-(methylamino)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide CAS Name: N-[3-[8-(2,6-difluorophenyl)-2-(methylamino)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylphenyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[8-(2,6-difluorophenyl)-2-(methylamino)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-3-carboxamide Traditional Name: N-[3-[8-(2,6-difluorophenyl)-7-keto-2-(methylamino)-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide Formula: C25H20F2N6O2S MolecularWeight: 506.527106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CSC=C2)C3=C4CNC(=O)N(C4=NC(=N3)NC)C5=C(C=CC=C5F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CSC=C2)C3=C4CNC(=O)N(C4=NC(=N3)NC)C5=C(C=CC=C5F)F

InChI

InChI=1S/C25H20F2N6O2S/c1-13-6-7-15(30-23(34)14-8-9-36-12-14)10-16(13)20-17-11-29-25(35)33(22(17)32-24(28-2)31-20)21-18(26)4-3-5-19(21)27/h3-10,12H,11H2,1-2H3,(H,29,35)(H,30,34)(H,28,31,32)