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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O4S/c1-2-26-15(23)10-4-3-5-11(8-10)20-13-12(22(24)25)14(19-9-18-13)21-16-17-6-7-27-16/h3-9H,2H2,1H3,(H2,17,18,19,20,21)