nitric acid; 1-propan-2-yl-3-[4-(prop-2-ynylamino)pyridin-3-yl]sulfonyl-urea

Systemtic Name: nitric acid; 1-propan-2-yl-3-[4-(prop-2-ynylamino)pyridin-3-yl]sulfonyl-urea Openeye Name: 1-isopropyl-3-[[4-(prop-2-ynylamino)-3-pyridyl]sulfonyl]urea; nitric acid CAS Name: nitric acid; 1-propan-2-yl-3-[[4-(prop-2-ynylamino)-3-pyridinyl]sulfonyl]urea IUPAC Name: nitric acid; 1-propan-2-yl-3-[4-(prop-2-ynylamino)pyridin-3-yl]sulfonylurea Traditional Name: 1-isopropyl-3-[[4-(propargylamino)-3-pyridyl]sulfonyl]urea; nitric acid Formula: C12H17N5O6S MolecularWeight: 359.35828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NCC#C.[N+](=O)(O)[O-]

Isomeric SMILES

CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NCC#C.[N+](=O)(O)[O-]

InChI

InChI=1S/C12H16N4O3S.HNO3/c1-4-6-14-10-5-7-13-8-11(10)20(18,19)16-12(17)15-9(2)3;2-1(3)4/h1,5,7-9H,6H2,2-3H3,(H,13,14)(H2,15,16,17);(H,2,3,4)