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

Systemtic Name: 1-[3-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(2-thiazolylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C15H12N6O3S MolecularWeight: 356.35918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N6O3S/c1-9(22)10-3-2-4-11(7-10)19-13-12(21(23)24)14(18-8-17-13)20-15-16-5-6-25-15/h2-8H,1H3,(H2,16,17,18,19,20)