methanesulfonic acid; 1-pentan-3-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea

Systemtic Name: methanesulfonic acid; 1-pentan-3-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea Openeye Name: 1-(1-ethylpropyl)-3-[2-(4-pyridyl)pyrimidin-4-yl]urea; methanesulfonic acid CAS Name: methanesulfonic acid; 1-pentan-3-yl-3-(2-pyridin-4-yl-4-pyrimidinyl)urea IUPAC Name: methanesulfonic acid; 1-pentan-3-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea Traditional Name: 1-(1-ethylpropyl)-3-[2-(4-pyridyl)pyrimidin-4-yl]urea; mesylic acid Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1=NC(=NC=C1)C2=CC=NC=C2.CS(=O)(=O)O

Isomeric SMILES

CCC(CC)NC(=O)NC1=NC(=NC=C1)C2=CC=NC=C2.CS(=O)(=O)O

InChI

InChI=1S/C15H19N5O.CH4O3S/c1-3-12(4-2)18-15(21)20-13-7-10-17-14(19-13)11-5-8-16-9-6-11;1-5(2,3)4/h5-10,12H,3-4H2,1-2H3,(H2,17,18,19,20,21);1H3,(H,2,3,4)