4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(pyrimidin-2-ylamino)ethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate

Systemtic Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(pyrimidin-2-ylamino)ethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate Openeye Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(pyrimidin-2-ylamino)ethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate CAS Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(2-pyrimidinylamino)ethoxy]-4-pyrimidinyl]benzenesulfonamide hydrate IUPAC Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(pyrimidin-2-ylamino)ethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate Traditional Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(2-pyrimidylamino)ethoxy]pyrimidin-4-yl]benzenesulfonamide hydrate Formula: C27H32N6O6S MolecularWeight: 568.64458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCNC3=NC=CC=N3)OC4=CC(=CC=C4)OC.O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCNC3=NC=CC=N3)OC4=CC(=CC=C4)OC.O

InChI

InChI=1S/C27H30N6O5S.H2O/c1-27(2,3)19-9-11-22(12-10-19)39(34,35)33-24-23(38-21-8-5-7-20(17-21)36-4)25(32-18-31-24)37-16-15-30-26-28-13-6-14-29-26;/h5-14,17-18H,15-16H2,1-4H3,(H,28,29,30)(H,31,32,33);1H2