[4-[4-(hydroxymethyl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone

Systemtic Name: [4-[4-(hydroxymethyl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone Openeye Name: [4-[4-(hydroxymethyl)-5-nitro-6-thiomorpholino-pyrimidin-2-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone CAS Name: [4-[4-(hydroxymethyl)-5-nitro-6-thiomorpholin-4-yl-2-pyrimidinyl]-1-piperazinyl]-(2-hydroxyphenyl)methanone IUPAC Name: [4-[4-(hydroxymethyl)-5-nitro-6-thiomorpholin-4-ylpyrimidin-2-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone Traditional Name: (2-hydroxyphenyl)-[4-(4-methylol-5-nitro-6-thiomorpholino-pyrimidin-2-yl)piperazino]methanone Formula: C20H24N6O5S MolecularWeight: 460.50676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])CO)C(=O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CCN1C2=NC(=C(C(=N2)N3CCSCC3)[N+](=O)[O-])CO)C(=O)C4=CC=CC=C4O

InChI

InChI=1S/C20H24N6O5S/c27-13-15-17(26(30)31)18(23-9-11-32-12-10-23)22-20(21-15)25-7-5-24(6-8-25)19(29)14-3-1-2-4-16(14)28/h1-4,27-28H,5-13H2