N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-methoxy-benzenesulfonamide

Systemtic Name: N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-methoxy-benzenesulfonamide Openeye Name: N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-methoxy-benzenesulfonamide CAS Name: N-[4-[[6-(1-imidazolyl)-4-pyrimidinyl]amino]phenyl]-3-methoxybenzenesulfonamide IUPAC Name: N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-methoxybenzenesulfonamide Traditional Name: N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-methoxy-benzenesulfonamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)N4C=CN=C4

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)N4C=CN=C4

InChI

InChI=1S/C20H18N6O3S/c1-29-17-3-2-4-18(11-17)30(27,28)25-16-7-5-15(6-8-16)24-19-12-20(23-13-22-19)26-10-9-21-14-26/h2-14,25H,1H3,(H,22,23,24)