4-(4-imidazol-1-yl-6-methyl-5-nitro-pyrimidin-2-yl)-3-methyl-morpholine; 4-methylbenzenesulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1C2=NC(=C(C(=N2)N3C=CN=C3)[N+](=O)[O-])C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1COCCN1C2=NC(=C(C(=N2)N3C=CN=C3)[N+](=O)[O-])C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H16N6O3.C7H8O3S/c1-9-7-22-6-5-18(9)13-15-10(2)11(19(20)21)12(16-13)17-4-3-14-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,8-9H,5-7H2,1-2H3;2-5H,1H3,(H,8,9,10)