7-[[3-(2-bromophenyl)-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4H-1,4-benzothiazin-3-one

Systemtic Name: 7-[[3-(2-bromophenyl)-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4H-1,4-benzothiazin-3-one Openeye Name: 7-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4H-1,4-benzothiazin-3-one CAS Name: 7-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4H-1,4-benzothiazin-3-one IUPAC Name: 7-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4H-1,4-benzothiazin-3-one Traditional Name: 7-[[3-(2-bromophenyl)-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4H-1,4-benzothiazin-3-one Formula: C21H17BrN6O2S MolecularWeight: 497.36768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Br)NC4=CC5=C(C=C4)NC(=O)CS5

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Br)NC4=CC5=C(C=C4)NC(=O)CS5

InChI

InChI=1S/C21H17BrN6O2S/c1-27-19-12(10-28(21(27)30)16-5-3-2-4-14(16)22)9-23-20(26-19)24-13-6-7-15-17(8-13)31-11-18(29)25-15/h2-9H,10-11H2,1H3,(H,25,29)(H,23,24,26)