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

Systemtic Name: 1-butyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea; methanesulfonic acid Openeye Name: 1-butyl-3-isopropyl-1-[2-(4-pyridyl)pyrimidin-4-yl]urea; methanesulfonic acid CAS Name: 1-butyl-3-propan-2-yl-1-(2-pyridin-4-yl-4-pyrimidinyl)urea; methanesulfonic acid IUPAC Name: 1-butyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea; methanesulfonic acid Traditional Name: 1-butyl-3-isopropyl-1-[2-(4-pyridyl)pyrimidin-4-yl]urea; mesylic acid Formula: C18H27N5O4S MolecularWeight: 409.50308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC(=NC=C1)C2=CC=NC=C2)C(=O)NC(C)C.CS(=O)(=O)O

Isomeric SMILES

CCCCN(C1=NC(=NC=C1)C2=CC=NC=C2)C(=O)NC(C)C.CS(=O)(=O)O

InChI

InChI=1S/C17H23N5O.CH4O3S/c1-4-5-12-22(17(23)20-13(2)3)15-8-11-19-16(21-15)14-6-9-18-10-7-14;1-5(2,3)4/h6-11,13H,4-5,12H2,1-3H3,(H,20,23);1H3,(H,2,3,4)