2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-4-(3-oxidanylazetidin-1-yl)-5H-pteridine-6,7-dione

Systemtic Name: 2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-4-(3-oxidanylazetidin-1-yl)-5H-pteridine-6,7-dione Openeye Name: 2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-4-(3-hydroxyazetidin-1-yl)-5H-pteridine-6,7-dione CAS Name: 2-(butylthio)-8-[(4-fluorophenyl)methyl]-4-(3-hydroxy-1-azetidinyl)-5H-pteridine-6,7-dione IUPAC Name: 2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-4-(3-hydroxyazetidin-1-yl)-5H-pteridine-6,7-dione Traditional Name: 2-(butylthio)-8-(4-fluorobenzyl)-4-(3-hydroxyazetidin-1-yl)-5H-pteridine-6,7-quinone Formula: C20H22FN5O3S MolecularWeight: 431.483783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N3CC(C3)O)NC(=O)C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N3CC(C3)O)NC(=O)C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN5O3S/c1-2-3-8-30-20-23-16(25-10-14(27)11-25)15-17(24-20)26(19(29)18(28)22-15)9-12-4-6-13(21)7-5-12/h4-7,14,27H,2-3,8-11H2,1H3,(H,22,28)