1-[4-[4-(1-hydroxyethyloxy)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl]piperazin-1-yl]butane-1,3-dione

Systemtic Name: 1-[4-[4-(1-hydroxyethyloxy)-5-nitro-6-thiomorpholin-4-yl-pyrimidin-2-yl]piperazin-1-yl]butane-1,3-dione Openeye Name: 1-[4-[4-(1-hydroxyethoxy)-5-nitro-6-thiomorpholino-pyrimidin-2-yl]piperazin-1-yl]butane-1,3-dione CAS Name: 1-[4-[4-(1-hydroxyethoxy)-5-nitro-6-thiomorpholin-4-yl-2-pyrimidinyl]-1-piperazinyl]butane-1,3-dione IUPAC Name: 1-[4-[4-(1-hydroxyethoxy)-5-nitro-6-thiomorpholin-4-ylpyrimidin-2-yl]piperazin-1-yl]butane-1,3-dione Traditional Name: 1-[4-[4-(1-hydroxyethoxy)-5-nitro-6-thiomorpholino-pyrimidin-2-yl]piperazino]butane-1,3-dione Formula: C18H26N6O6S MolecularWeight: 454.50064

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)N3CCN(CC3)C(=O)CC(=O)C

Isomeric SMILES

CC(O)OC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)N3CCN(CC3)C(=O)CC(=O)C

InChI

InChI=1S/C18H26N6O6S/c1-12(25)11-14(27)21-3-5-23(6-4-21)18-19-16(22-7-9-31-10-8-22)15(24(28)29)17(20-18)30-13(2)26/h13,26H,3-11H2,1-2H3