2-[[7-azanyl-2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol

Systemtic Name: 2-[[7-azanyl-2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol Openeye Name: 2-[[7-amino-2-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol CAS Name: 2-[[7-amino-2-[(3-chloro-2-fluorophenyl)methylthio]-4-pteridinyl]amino]-1-propanol IUPAC Name: 2-[[7-amino-2-[(3-chloro-2-fluorophenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol Traditional Name: 2-[[7-amino-2-[(3-chloro-2-fluoro-benzyl)thio]pteridin-4-yl]amino]propan-1-ol Formula: C16H16ClFN6OS MolecularWeight: 394.854243

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=NC(=CN=C21)N)SCC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(CO)NC1=NC(=NC2=NC(=CN=C21)N)SCC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C16H16ClFN6OS/c1-8(6-25)21-14-13-15(22-11(19)5-20-13)24-16(23-14)26-7-9-3-2-4-10(17)12(9)18/h2-5,8,25H,6-7H2,1H3,(H3,19,21,22,23,24)