3-[8-[2,6-bis(fluoranyl)phenyl]-7-oxidanylidene-2-[2-(propan-2-ylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(phenylmethyl)benzamide

Systemtic Name: 3-[8-[2,6-bis(fluoranyl)phenyl]-7-oxidanylidene-2-[2-(propan-2-ylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[8-(2,6-difluorophenyl)-2-[2-(isopropylamino)ethylamino]-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-benzamide CAS Name: 3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propan-2-ylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propan-2-ylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylbenzamide Traditional Name: N-benzyl-3-[8-(2,6-difluorophenyl)-2-[2-(isopropylamino)ethylamino]-7-keto-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-benzamide Formula: C32H33F2N7O2 MolecularWeight: 585.646926

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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)NCCNC(C)C)C5=C(C=CC=C5F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)C3=C4CNC(=O)N(C4=NC(=N3)NCCNC(C)C)C5=C(C=CC=C5F)F

InChI

InChI=1S/C32H33F2N7O2/c1-19(2)35-14-15-36-31-39-27(23-16-22(13-12-20(23)3)30(42)37-17-21-8-5-4-6-9-21)24-18-38-32(43)41(29(24)40-31)28-25(33)10-7-11-26(28)34/h4-13,16,19,35H,14-15,17-18H2,1-3H3,(H,37,42)(H,38,43)(H,36,39,40)