2-[3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]sulfonylethanol

Systemtic Name: 2-[3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]sulfonylethanol Openeye Name: 2-[3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]sulfonylethanol CAS Name: 2-[3-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]phenyl]sulfonylethanol IUPAC Name: 2-[3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]sulfonylethanol Traditional Name: 2-[3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]sulfonylethanol Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)NC3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)CCO

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)NC3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)CCO

InChI

InChI=1S/C21H19N5O3S/c27-10-11-30(28,29)18-6-3-5-16(13-18)25-21-22-9-8-20(26-21)24-17-12-15-4-1-2-7-19(15)23-14-17/h1-9,12-14,27H,10-11H2,(H2,22,24,25,26)