4-(1-azanylpropan-2-ylamino)-2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-8H-pteridin-7-one

Systemtic Name: 4-(1-azanylpropan-2-ylamino)-2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-8H-pteridin-7-one Openeye Name: 4-[(2-amino-1-methyl-ethyl)amino]-2-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 4-(1-aminopropan-2-ylamino)-2-[(3-chloro-2-fluorophenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 4-(1-aminopropan-2-ylamino)-2-[(3-chloro-2-fluorophenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 4-[(2-amino-1-methyl-ethyl)amino]-2-[(3-chloro-2-fluoro-benzyl)thio]-8H-pteridin-7-one Formula: C16H16ClFN6OS MolecularWeight: 394.854243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(CN)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)Cl)F

InChI

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