1-[4-[4-methyl-5-nitro-6-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimidin-2-yl]piperazin-1-yl]butane-1,3-dione

Systemtic Name: 1-[4-[4-methyl-5-nitro-6-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimidin-2-yl]piperazin-1-yl]butane-1,3-dione Openeye Name: 1-[4-[4-methyl-5-nitro-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-yl]piperazin-1-yl]butane-1,3-dione CAS Name: 1-[4-[4-methyl-5-nitro-6-(1-oxo-1,4-thiazinan-4-yl)-2-pyrimidinyl]-1-piperazinyl]butane-1,3-dione IUPAC Name: 1-[4-[4-methyl-5-nitro-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-yl]piperazin-1-yl]butane-1,3-dione Traditional Name: 1-[4-[4-(1-keto-1,4-thiazinan-4-yl)-6-methyl-5-nitro-pyrimidin-2-yl]piperazino]butane-1,3-dione Formula: C17H24N6O5S MolecularWeight: 424.47466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCN(CC2)C(=O)CC(=O)C)N3CCS(=O)CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCN(CC2)C(=O)CC(=O)C)N3CCS(=O)CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N6O5S/c1-12(24)11-14(25)20-3-5-22(6-4-20)17-18-13(2)15(23(26)27)16(19-17)21-7-9-29(28)10-8-21/h3-11H2,1-2H3