Molecular Weight (g/mol)

668.8

Molecular Formula

C31H40N8O7S

InChI

InChI=1S/C30H34N8O3.CH4O3S.H2O/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21;1-5(2,3)4;/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34);1H3,(H,2,3,4);1H2

InChIKey

ZJPNGZUERUYZEG-UHFFFAOYSA-N

SMILES

CN(C)CC1=CN(N=C1C2=CC=CC=C2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCOCC5)OC.CS(=O)(=O)O.O

IUPAC Name

N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide;methanesulfonic acid;hydrate

Exact Mass (Da)

668.27406682

Monoisotopic Mass (Da)

668.27406682