4-azanyl-2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione

Systemtic Name: 4-azanyl-2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione Openeye Name: 4-amino-2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione CAS Name: 4-amino-2-(butylthio)-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione IUPAC Name: 4-amino-2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione Traditional Name: 4-amino-2-(butylthio)-8-(4-fluorobenzyl)-5H-pteridine-6,7-quinone Formula: C17H18FN5O2S MolecularWeight: 375.420523

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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

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H18FN5O2S/c1-2-3-8-26-17-21-13(19)12-14(22-17)23(16(25)15(24)20-12)9-10-4-6-11(18)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,20,24)(H2,19,21,22)