benzenesulfonic acid; (3S)-3-methyl-4-[4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-yl]morpholine

Systemtic Name: benzenesulfonic acid; (3S)-3-methyl-4-[4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-yl]morpholine Openeye Name: benzenesulfonic acid; (3S)-3-methyl-4-[4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-yl]morpholine CAS Name: benzenesulfonic acid; (3S)-3-methyl-4-[4-methyl-6-(2-methyl-1-imidazolyl)-5-nitro-2-pyrimidinyl]morpholine IUPAC Name: benzenesulfonic acid; (3S)-3-methyl-4-[4-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-yl]morpholine Traditional Name: besylic acid; (3S)-3-methyl-4-[4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-yl]morpholine Formula: C20H24N6O6S MolecularWeight: 476.50616

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1C2=NC(=C(C(=N2)N3C=CN=C3C)[N+](=O)[O-])C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C[C@H]1COCCN1C2=NC(=C(C(=N2)N3C=CN=C3C)[N+](=O)[O-])C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H18N6O3.C6H6O3S/c1-9-8-23-7-6-18(9)14-16-10(2)12(20(21)22)13(17-14)19-5-4-15-11(19)3;7-10(8,9)6-4-2-1-3-5-6/h4-5,9H,6-8H2,1-3H3;1-5H,(H,7,8,9)/t9-;/m0./s1