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

Systemtic Name: 4-azanyl-8-[(4-fluorophenyl)methyl]-2-(phenylmethylsulfanyl)-5H-pteridine-6,7-dione Openeye Name: 4-amino-2-benzylsulfanyl-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione CAS Name: 4-amino-8-[(4-fluorophenyl)methyl]-2-(phenylmethylthio)-5H-pteridine-6,7-dione IUPAC Name: 4-amino-2-benzylsulfanyl-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione Traditional Name: 4-amino-2-(benzylthio)-8-(4-fluorobenzyl)-5H-pteridine-6,7-quinone Formula: C20H16FN5O2S MolecularWeight: 409.436743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N)NC(=O)C(=O)N3CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N)NC(=O)C(=O)N3CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H16FN5O2S/c21-14-8-6-12(7-9-14)10-26-17-15(23-18(27)19(26)28)16(22)24-20(25-17)29-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,23,27)(H2,22,24,25)