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

Systemtic Name: 4-azanyl-8-[(4-fluorophenyl)methyl]-2-phenethylsulfanyl-5H-pteridine-6,7-dione Openeye Name: 4-amino-8-[(4-fluorophenyl)methyl]-2-phenethylsulfanyl-5H-pteridine-6,7-dione CAS Name: 4-amino-8-[(4-fluorophenyl)methyl]-2-(phenethylthio)-5H-pteridine-6,7-dione IUPAC Name: 4-amino-8-[(4-fluorophenyl)methyl]-2-phenethylsulfanyl-5H-pteridine-6,7-dione Traditional Name: 4-amino-8-(4-fluorobenzyl)-2-(phenethylthio)-5H-pteridine-6,7-quinone Formula: C21H18FN5O2S MolecularWeight: 423.463323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(C(=N2)N)NC(=O)C(=O)N3CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(C(=N2)N)NC(=O)C(=O)N3CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN5O2S/c22-15-8-6-14(7-9-15)12-27-18-16(24-19(28)20(27)29)17(23)25-21(26-18)30-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,24,28)(H2,23,25,26)