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

Systemtic Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(2-pyrimidin-2-yloxyethylamino)pyrimidin-4-yl]benzenesulfonamide hydrate Openeye Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(2-pyrimidin-2-yloxyethylamino)pyrimidin-4-yl]benzenesulfonamide hydrate CAS Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(2-pyrimidinyloxy)ethylamino]-4-pyrimidinyl]benzenesulfonamide hydrate IUPAC Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(2-pyrimidin-2-yloxyethylamino)pyrimidin-4-yl]benzenesulfonamide hydrate Traditional Name: 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(2-pyrimidyloxy)ethylamino]pyrimidin-4-yl]benzenesulfonamide hydrate Formula: C27H32N6O6S MolecularWeight: 568.64458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC=NC(=C2OC3=CC(=CC=C3)OC)NCCOC4=NC=CC=N4.O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC=NC(=C2OC3=CC(=CC=C3)OC)NCCOC4=NC=CC=N4.O

InChI

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