methyl 2-[methyl-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-(2-thiazolylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C16H14N6O4S MolecularWeight: 386.38516

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=NC=CS3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=NC=CS3

InChI

InChI=1S/C16H14N6O4S/c1-21(11-6-4-3-5-10(11)15(23)26-2)14-12(22(24)25)13(18-9-19-14)20-16-17-7-8-27-16/h3-9H,1-2H3,(H,17,18,19,20)