[4-azanyl-2-cyclopentylsulfanyl-8-[(4-fluorophenyl)methyl]-6,7-bis(oxidanylidene)pteridin-5-yl] butanoate

Systemtic Name: [4-azanyl-2-cyclopentylsulfanyl-8-[(4-fluorophenyl)methyl]-6,7-bis(oxidanylidene)pteridin-5-yl] butanoate Openeye Name: [4-amino-2-cyclopentylsulfanyl-8-[(4-fluorophenyl)methyl]-6,7-dioxo-pteridin-5-yl] butanoate CAS Name: butanoic acid [4-amino-2-(cyclopentylthio)-8-[(4-fluorophenyl)methyl]-6,7-dioxo-5-pteridinyl] ester IUPAC Name: [4-amino-2-cyclopentylsulfanyl-8-[(4-fluorophenyl)methyl]-6,7-dioxopteridin-5-yl] butanoate Traditional Name: butyric acid [4-amino-2-(cyclopentylthio)-8-(4-fluorobenzyl)-6,7-diketo-pteridin-5-yl] ester Formula: C22H24FN5O4S MolecularWeight: 473.520463

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C2=C(N=C(N=C2N)SC3CCCC3)N(C(=O)C1=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CCCC(=O)ON1C2=C(N=C(N=C2N)SC3CCCC3)N(C(=O)C1=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN5O4S/c1-2-5-16(29)32-28-17-18(24)25-22(33-15-6-3-4-7-15)26-19(17)27(20(30)21(28)31)12-13-8-10-14(23)11-9-13/h8-11,15H,2-7,12H2,1H3,(H2,24,25,26)