methanesulfonic acid; 1-[2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]-3-propan-2-yl-urea

Systemtic Name: methanesulfonic acid; 1-[2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]urea; methanesulfonic acid CAS Name: methanesulfonic acid; 1-[2-(1-oxido-4-pyridin-1-iumyl)-4-pyrimidinyl]-3-propan-2-ylurea IUPAC Name: methanesulfonic acid; 1-[2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]urea; mesylic acid Formula: C14H19N5O5S MolecularWeight: 369.39616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=NC(=NC=C1)C2=CC=[N+](C=C2)[O-].CS(=O)(=O)O

Isomeric SMILES

CC(C)NC(=O)NC1=NC(=NC=C1)C2=CC=[N+](C=C2)[O-].CS(=O)(=O)O

InChI

InChI=1S/C13H15N5O2.CH4O3S/c1-9(2)15-13(19)17-11-3-6-14-12(16-11)10-4-7-18(20)8-5-10;1-5(2,3)4/h3-9H,1-2H3,(H2,14,15,16,17,19);1H3,(H,2,3,4)