N-[3-[2-(4-azanylpiperidin-1-yl)-8-[2,6-bis(fluoranyl)phenyl]-7-oxidanylidene-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[2-(4-azanylpiperidin-1-yl)-8-[2,6-bis(fluoranyl)phenyl]-7-oxidanylidene-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide Openeye Name: N-[3-[2-(4-amino-1-piperidyl)-8-(2,6-difluorophenyl)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide CAS Name: N-[3-[2-(4-amino-1-piperidinyl)-8-(2,6-difluorophenyl)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylphenyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[2-(4-aminopiperidin-1-yl)-8-(2,6-difluorophenyl)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-3-carboxamide Traditional Name: N-[3-[2-(4-aminopiperidino)-8-(2,6-difluorophenyl)-7-keto-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide Formula: C29H27F2N7O2S MolecularWeight: 575.632186

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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)N5CCC(CC5)N)C6=C(C=CC=C6F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CSC=C2)C3=C4CNC(=O)N(C4=NC(=N3)N5CCC(CC5)N)C6=C(C=CC=C6F)F

InChI

InChI=1S/C29H27F2N7O2S/c1-16-5-6-19(34-27(39)17-9-12-41-15-17)13-20(16)24-21-14-33-29(40)38(25-22(30)3-2-4-23(25)31)26(21)36-28(35-24)37-10-7-18(32)8-11-37/h2-6,9,12-13,15,18H,7-8,10-11,14,32H2,1H3,(H,33,40)(H,34,39)