1-(4,6-dimethylpyrimidin-2-yl)-3-[(5-nitro-2,3-dihydro-1H-inden-4-yl)sulfonyl]urea

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-[(5-nitro-2,3-dihydro-1H-inden-4-yl)sulfonyl]urea Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-nitroindan-4-yl)sulfonyl-urea CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-3-[(5-nitro-2,3-dihydro-1H-inden-4-yl)sulfonyl]urea IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-[(5-nitro-2,3-dihydro-1H-inden-4-yl)sulfonyl]urea Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-nitroindan-4-yl)sulfonyl-urea Formula: C16H17N5O5S MolecularWeight: 391.40168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC3=C2CCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC3=C2CCC3)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O5S/c1-9-8-10(2)18-15(17-9)19-16(22)20-27(25,26)14-12-5-3-4-11(12)6-7-13(14)21(23)24/h6-8H,3-5H2,1-2H3,(H2,17,18,19,20,22)