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

Systemtic Name: 2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-4-(2-morpholin-4-ylethylamino)-5H-pteridine-6,7-dione Openeye Name: 2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-4-(2-morpholinoethylamino)-5H-pteridine-6,7-dione CAS Name: 2-(butylthio)-8-[(4-fluorophenyl)methyl]-4-[2-(4-morpholinyl)ethylamino]-5H-pteridine-6,7-dione IUPAC Name: 2-butylsulfanyl-8-[(4-fluorophenyl)methyl]-4-(2-morpholin-4-ylethylamino)-5H-pteridine-6,7-dione Traditional Name: 2-(butylthio)-8-(4-fluorobenzyl)-4-(2-morpholinoethylamino)-5H-pteridine-6,7-quinone Formula: C23H29FN6O3S MolecularWeight: 488.578163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)NCCN3CCOCC3)NC(=O)C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)NCCN3CCOCC3)NC(=O)C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H29FN6O3S/c1-2-3-14-34-23-27-19(25-8-9-29-10-12-33-13-11-29)18-20(28-23)30(22(32)21(31)26-18)15-16-4-6-17(24)7-5-16/h4-7H,2-3,8-15H2,1H3,(H,26,31)(H,25,27,28)