1-(2,4-dinitrophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane

Systemtic Name: 1-(2,4-dinitrophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(2,4-dinitrophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(2,4-dinitrophenyl)sulfonyl-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(2,4-dinitrophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-(2,4-dinitrophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Formula: C18H22N6O6S MolecularWeight: 450.46888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C)C

InChI

InChI=1S/C18H22N6O6S/c1-12-13(2)19-14(3)20-18(12)21-7-4-8-22(10-9-21)31(29,30)17-6-5-15(23(25)26)11-16(17)24(27)28/h5-6,11H,4,7-10H2,1-3H3