4-azanyl-2-butylsulfanyl-8-[(4-fluoranyl-3-nitro-phenyl)methyl]-5H-pteridine-6,7-dione

Systemtic Name: 4-azanyl-2-butylsulfanyl-8-[(4-fluoranyl-3-nitro-phenyl)methyl]-5H-pteridine-6,7-dione Openeye Name: 4-amino-2-butylsulfanyl-8-[(4-fluoro-3-nitro-phenyl)methyl]-5H-pteridine-6,7-dione CAS Name: 4-amino-2-(butylthio)-8-[(4-fluoro-3-nitrophenyl)methyl]-5H-pteridine-6,7-dione IUPAC Name: 4-amino-2-butylsulfanyl-8-[(4-fluoro-3-nitrophenyl)methyl]-5H-pteridine-6,7-dione Traditional Name: 4-amino-2-(butylthio)-8-(4-fluoro-3-nitro-benzyl)-5H-pteridine-6,7-quinone Formula: C17H17FN6O4S MolecularWeight: 420.418083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN6O4S/c1-2-3-6-29-17-21-13(19)12-14(22-17)23(16(26)15(25)20-12)8-9-4-5-10(18)11(7-9)24(27)28/h4-5,7H,2-3,6,8H2,1H3,(H,20,25)(H2,19,21,22)