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

Systemtic Name: dimethyl 5-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-(2-thiazolylamino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H14N6O6S MolecularWeight: 430.39466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H14N6O6S/c1-28-15(24)9-5-10(16(25)29-2)7-11(6-9)21-13-12(23(26)27)14(20-8-19-13)22-17-18-3-4-30-17/h3-8H,1-2H3,(H2,18,19,20,21,22)