4-(5-nitro-2-piperazin-1-yl-6-propan-2-yloxy-pyrimidin-4-yl)-4-oxidanidyl-thiomorpholin-4-ium

Systemtic Name: 4-(5-nitro-2-piperazin-1-yl-6-propan-2-yloxy-pyrimidin-4-yl)-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-(6-isopropoxy-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-4-oxido-thiomorpholin-4-ium CAS Name: 4-[5-nitro-2-(1-piperazinyl)-6-propan-2-yloxy-4-pyrimidinyl]-4-oxidothiomorpholin-4-ium IUPAC Name: 4-(5-nitro-2-piperazin-1-yl-6-propan-2-yloxypyrimidin-4-yl)-4-oxidothiomorpholin-4-ium Traditional Name: 4-(6-isopropoxy-5-nitro-2-piperazino-pyrimidin-4-yl)-4-oxido-thiomorpholin-4-ium Formula: C15H24N6O4S MolecularWeight: 384.45386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC(=NC(=C1[N+](=O)[O-])[N+]2(CCSCC2)[O-])N3CCNCC3

Isomeric SMILES

CC(C)OC1=NC(=NC(=C1[N+](=O)[O-])[N+]2(CCSCC2)[O-])N3CCNCC3

InChI

InChI=1S/C15H24N6O4S/c1-11(2)25-14-12(20(22)23)13(21(24)7-9-26-10-8-21)17-15(18-14)19-5-3-16-4-6-19/h11,16H,3-10H2,1-2H3