[2-[(2-bromanyl-4-propan-2-yl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl]methyl methanesulfonate

Systemtic Name: [2-[(2-bromanyl-4-propan-2-yl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl]methyl methanesulfonate Openeye Name: [2-(2-bromo-N-ethyl-4-isopropyl-anilino)-6-methyl-pyrimidin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methyl-4-pyrimidinyl]methyl ester IUPAC Name: [2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methylpyrimidin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-(2-bromo-N-ethyl-4-isopropyl-anilino)-6-methyl-pyrimidin-4-yl]methyl ester Formula: C18H24BrN3O3S MolecularWeight: 442.37046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)COS(=O)(=O)C)C

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)COS(=O)(=O)C)C

InChI

InChI=1S/C18H24BrN3O3S/c1-6-22(17-8-7-14(12(2)3)10-16(17)19)18-20-13(4)9-15(21-18)11-25-26(5,23)24/h7-10,12H,6,11H2,1-5H3