(E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]-2-phenyl-ethenesulfonamide hydrate

Systemtic Name: (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]-2-phenyl-ethenesulfonamide hydrate Openeye Name: (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]-2-phenyl-ethenesulfonamide hydrate CAS Name: (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]-2-phenylethenesulfonamide hydrate IUPAC Name: (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide hydrate Traditional Name: (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-pyrimidyl)pyrimidin-4-yl]-2-phenyl-ethenesulfonamide hydrate Formula: C24H23N5O6S MolecularWeight: 509.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=C(N=C(N=C2OC)C3=NC=CC=N3)NS(=O)(=O)C=CC4=CC=CC=C4.O

Isomeric SMILES

COC1=CC=CC=C1OC2=C(N=C(N=C2OC)C3=NC=CC=N3)NS(=O)(=O)/C=C/C4=CC=CC=C4.O

InChI

InChI=1S/C24H21N5O5S.H2O/c1-32-18-11-6-7-12-19(18)34-20-21(29-35(30,31)16-13-17-9-4-3-5-10-17)27-23(28-24(20)33-2)22-25-14-8-15-26-22;/h3-16H,1-2H3,(H,27,28,29);1H2/b16-13+;