6-[[3-(2-bromophenyl)-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4-methyl-1,4-benzothiazin-3-one

Systemtic Name: 6-[[3-(2-bromophenyl)-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4-methyl-1,4-benzothiazin-3-one Openeye Name: 6-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4-methyl-1,4-benzothiazin-3-one CAS Name: 6-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4-methyl-1,4-benzothiazin-3-one IUPAC Name: 6-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4-methyl-1,4-benzothiazin-3-one Traditional Name: 6-[[3-(2-bromophenyl)-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4-methyl-1,4-benzothiazin-3-one Formula: C22H19BrN6O2S MolecularWeight: 511.39426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CSC2=C1C=C(C=C2)NC3=NC=C4CN(C(=O)N(C4=N3)C)C5=CC=CC=C5Br

Isomeric SMILES

CN1C(=O)CSC2=C1C=C(C=C2)NC3=NC=C4CN(C(=O)N(C4=N3)C)C5=CC=CC=C5Br

InChI

InChI=1S/C22H19BrN6O2S/c1-27-17-9-14(7-8-18(17)32-12-19(27)30)25-21-24-10-13-11-29(16-6-4-3-5-15(16)23)22(31)28(2)20(13)26-21/h3-10H,11-12H2,1-2H3,(H,24,25,26)