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

Systemtic Name: methyl 4-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(2-thiazolylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C15H12N6O4S MolecularWeight: 372.35858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N6O4S/c1-25-14(22)9-2-4-10(5-3-9)19-12-11(21(23)24)13(18-8-17-12)20-15-16-6-7-26-15/h2-8H,1H3,(H2,16,17,18,19,20)