dimethyl 5-[[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(1,3-benzothiazol-2-ylamino)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(1,3-benzothiazol-2-ylamino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H16N6O6S MolecularWeight: 480.45334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H16N6O6S/c1-32-19(28)11-7-12(20(29)33-2)9-13(8-11)24-17-16(27(30)31)18(23-10-22-17)26-21-25-14-5-3-4-6-15(14)34-21/h3-10H,1-2H3,(H2,22,23,24,25,26)