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

Systemtic Name: 2-butylsulfanyl-4-(dimethylamino)-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione Openeye Name: 2-butylsulfanyl-4-(dimethylamino)-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione CAS Name: 2-(butylthio)-4-(dimethylamino)-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione IUPAC Name: 2-butylsulfanyl-4-(dimethylamino)-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione Traditional Name: 2-(butylthio)-4-(dimethylamino)-8-(4-fluorobenzyl)-5H-pteridine-6,7-quinone Formula: C19H22FN5O2S MolecularWeight: 403.473683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN5O2S/c1-4-5-10-28-19-22-15(24(2)3)14-16(23-19)25(18(27)17(26)21-14)11-12-6-8-13(20)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,21,26)