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

Systemtic Name: 2-butylsulfanyl-4-(2-diethylaminoethylamino)-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione Openeye Name: 2-butylsulfanyl-4-(2-diethylaminoethylamino)-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione CAS Name: 2-(butylthio)-4-(2-diethylaminoethylamino)-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione IUPAC Name: 2-butylsulfanyl-4-(2-diethylaminoethylamino)-8-[(4-fluorophenyl)methyl]-5H-pteridine-6,7-dione Traditional Name: 2-(butylthio)-4-(2-diethylaminoethylamino)-8-(4-fluorobenzyl)-5H-pteridine-6,7-quinone Formula: C23H31FN6O2S MolecularWeight: 474.594643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN6O2S/c1-4-7-14-33-23-27-19(25-12-13-29(5-2)6-3)18-20(28-23)30(22(32)21(31)26-18)15-16-8-10-17(24)11-9-16/h8-11H,4-7,12-15H2,1-3H3,(H,26,31)(H,25,27,28)