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

Systemtic Name: [4-[4-(hydroxymethyl)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[4-(hydroxymethyl)-5-nitro-6-thiomorpholino-pyrimidin-2-yl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[4-(hydroxymethyl)-5-nitro-6-thiomorpholin-4-yl-2-pyrimidinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[4-(hydroxymethyl)-5-nitro-6-thiomorpholin-4-ylpyrimidin-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-(4-methylol-5-nitro-6-thiomorpholino-pyrimidin-2-yl)piperazino]-(4-pyridyl)methanone Formula: C19H23N7O4S MolecularWeight: 445.49542

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7O4S/c27-13-15-16(26(29)30)17(23-9-11-31-12-10-23)22-19(21-15)25-7-5-24(6-8-25)18(28)14-1-3-20-4-2-14/h1-4,27H,5-13H2