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

Systemtic Name: 4-azanyl-2-cyclopentylsulfanyl-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione Openeye Name: 4-amino-2-cyclopentylsulfanyl-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione CAS Name: 4-amino-2-(cyclopentylthio)-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione IUPAC Name: 4-amino-2-cyclopentylsulfanyl-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione Traditional Name: 4-amino-2-(cyclopentylthio)-8-(4-fluorobenzyl)-5H-pteridine-6,7-quinone Formula: C18H18FN5O2S MolecularWeight: 387.431223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=NC3=C(C(=N2)N)NC(=O)C(=O)N3CC4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C1)SC2=NC3=C(C(=N2)N)NC(=O)C(=O)N3CC4=CC=C(C=C4)F

InChI

InChI=1S/C18H18FN5O2S/c19-11-7-5-10(6-8-11)9-24-15-13(21-16(25)17(24)26)14(20)22-18(23-15)27-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,21,25)(H2,20,22,23)