N-cyclopropyl-2-(3-methylsulfonylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-(3-methylsulfonylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-(3-methylsulfonylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-(3-methylsulfonylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-(3-methylsulfonylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-(3-mesylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5S/c1-24(21,22)11-4-2-3-10(7-11)23-14-15-8-12(18(19)20)13(17-14)16-9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,15,16,17)