3-(2-bromanyl-6-fluoranyl-phenyl)-1-methyl-7-[[4-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},4-benzothiazin-7-yl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-bromanyl-6-fluoranyl-phenyl)-1-methyl-7-[[4-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},4-benzothiazin-7-yl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-bromo-6-fluoro-phenyl)-1-methyl-7-[(4-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},4-benzothiazin-7-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-bromo-6-fluorophenyl)-1-methyl-7-[(4-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},4-benzothiazin-7-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-bromo-6-fluorophenyl)-1-methyl-7-[(4-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},4-benzothiazin-7-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-bromo-6-fluoro-phenyl)-7-[(1,1-diketo-4-methyl-2,3-dihydro-1$l^{6},4-benzothiazin-7-yl)amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H20BrFN6O3S MolecularWeight: 547.400003

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCS(=O)(=O)C2=C1C=CC(=C2)NC3=NC=C4CN(C(=O)N(C4=N3)C)C5=C(C=CC=C5Br)F

Isomeric SMILES

CN1CCS(=O)(=O)C2=C1C=CC(=C2)NC3=NC=C4CN(C(=O)N(C4=N3)C)C5=C(C=CC=C5Br)F

InChI

InChI=1S/C22H20BrFN6O3S/c1-28-8-9-34(32,33)18-10-14(6-7-17(18)28)26-21-25-11-13-12-30(22(31)29(2)20(13)27-21)19-15(23)4-3-5-16(19)24/h3-7,10-11H,8-9,12H2,1-2H3,(H,25,26,27)