4-[6-(2,2-dimethylpropoxy)-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl]thiomorpholine

Systemtic Name: 4-[6-(2,2-dimethylpropoxy)-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl]thiomorpholine Openeye Name: 4-[6-(2,2-dimethylpropoxy)-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl]thiomorpholine CAS Name: 4-[6-(2,2-dimethylpropoxy)-5-nitro-2-(1-piperazinyl)-4-pyrimidinyl]thiomorpholine IUPAC Name: 4-[6-(2,2-dimethylpropoxy)-5-nitro-2-piperazin-1-ylpyrimidin-4-yl]thiomorpholine Traditional Name: 4-(6-neopentyloxy-5-nitro-2-piperazino-pyrimidin-4-yl)thiomorpholine Formula: C17H28N6O3S MolecularWeight: 396.50762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)N3CCNCC3

Isomeric SMILES

CC(C)(C)COC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)N3CCNCC3

InChI

InChI=1S/C17H28N6O3S/c1-17(2,3)12-26-15-13(23(24)25)14(21-8-10-27-11-9-21)19-16(20-15)22-6-4-18-5-7-22/h18H,4-12H2,1-3H3