3-[[4-(1-benzothiophen-3-ylmethylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenol

Systemtic Name: 3-[[4-(1-benzothiophen-3-ylmethylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenol Openeye Name: 3-[[4-(benzothiophen-3-ylmethylamino)-5-fluoro-pyrimidin-2-yl]amino]phenol CAS Name: 3-[[4-(1-benzothiophen-3-ylmethylamino)-5-fluoro-2-pyrimidinyl]amino]phenol IUPAC Name: 3-[[4-(1-benzothiophen-3-ylmethylamino)-5-fluoropyrimidin-2-yl]amino]phenol Traditional Name: 3-[[4-(benzothiophen-3-ylmethylamino)-5-fluoro-pyrimidin-2-yl]amino]phenol Formula: C19H15FN4OS MolecularWeight: 366.412003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CNC3=NC(=NC=C3F)NC4=CC(=CC=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CNC3=NC(=NC=C3F)NC4=CC(=CC=C4)O

InChI

InChI=1S/C19H15FN4OS/c20-16-10-22-19(23-13-4-3-5-14(25)8-13)24-18(16)21-9-12-11-26-17-7-2-1-6-15(12)17/h1-8,10-11,25H,9H2,(H2,21,22,23,24)