4-(6-tert-butyl-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-1,4-thiazinane 1-oxide

Systemtic Name: 4-(6-tert-butyl-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-1,4-thiazinane 1-oxide Openeye Name: 4-(6-tert-butyl-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-1,4-thiazinane 1-oxide CAS Name: 4-[6-tert-butyl-5-nitro-2-(1-piperazinyl)-4-pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-(6-tert-butyl-5-nitro-2-piperazin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide Traditional Name: 4-(6-tert-butyl-5-nitro-2-piperazino-pyrimidin-4-yl)-1,4-thiazinane 1-oxide Formula: C16H26N6O3S MolecularWeight: 382.48104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NC(=N1)N2CCNCC2)N3CCS(=O)CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C(=NC(=N1)N2CCNCC2)N3CCS(=O)CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H26N6O3S/c1-16(2,3)13-12(22(23)24)14(20-8-10-26(25)11-9-20)19-15(18-13)21-6-4-17-5-7-21/h17H,4-11H2,1-3H3