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-N-(phenylmethyl)benzamide

Systemtic Name: 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-N-(phenylmethyl)benzamide Openeye Name: 3-[2-(4-amino-1-piperidyl)-8-(2,6-difluorophenyl)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-N-benzyl-4-methyl-benzamide CAS Name: 3-[2-(4-amino-1-piperidinyl)-8-(2,6-difluorophenyl)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(phenylmethyl)benzamide IUPAC Name: 3-[2-(4-aminopiperidin-1-yl)-8-(2,6-difluorophenyl)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-N-benzyl-4-methylbenzamide Traditional Name: 3-[2-(4-aminopiperidino)-8-(2,6-difluorophenyl)-7-keto-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-N-benzyl-4-methyl-benzamide Formula: C32H31F2N7O2 MolecularWeight: 583.631046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=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)C(=O)NCC2=CC=CC=C2)C3=C4CNC(=O)N(C4=NC(=N3)N5CCC(CC5)N)C6=C(C=CC=C6F)F

InChI

InChI=1S/C32H31F2N7O2/c1-19-10-11-21(30(42)36-17-20-6-3-2-4-7-20)16-23(19)27-24-18-37-32(43)41(28-25(33)8-5-9-26(28)34)29(24)39-31(38-27)40-14-12-22(35)13-15-40/h2-11,16,22H,12-15,17-18,35H2,1H3,(H,36,42)(H,37,43)