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

Systemtic Name: 3-[[4-[(5-chloranyl-1-benzothiophen-3-yl)methylamino]-5-fluoranyl-pyrimidin-2-yl]amino]phenol Openeye Name: 3-[[4-[(5-chlorobenzothiophen-3-yl)methylamino]-5-fluoro-pyrimidin-2-yl]amino]phenol CAS Name: 3-[[4-[(5-chloro-1-benzothiophen-3-yl)methylamino]-5-fluoro-2-pyrimidinyl]amino]phenol IUPAC Name: 3-[[4-[(5-chloro-1-benzothiophen-3-yl)methylamino]-5-fluoropyrimidin-2-yl]amino]phenol Traditional Name: 3-[[4-[(5-chlorobenzothiophen-3-yl)methylamino]-5-fluoro-pyrimidin-2-yl]amino]phenol Formula: C19H14ClFN4OS MolecularWeight: 400.857063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)NC2=NC=C(C(=N2)NCC3=CSC4=C3C=C(C=C4)Cl)F

Isomeric SMILES

C1=CC(=CC(=C1)O)NC2=NC=C(C(=N2)NCC3=CSC4=C3C=C(C=C4)Cl)F

InChI

InChI=1S/C19H14ClFN4OS/c20-12-4-5-17-15(6-12)11(10-27-17)8-22-18-16(21)9-23-19(25-18)24-13-2-1-3-14(26)7-13/h1-7,9-10,26H,8H2,(H2,22,23,24,25)