7-[(4-fluorophenyl)methyl]-9-(3-methoxyphenyl)-2-(2-thiophen-2-ylethylamino)purin-8-one

Systemtic Name: 7-[(4-fluorophenyl)methyl]-9-(3-methoxyphenyl)-2-(2-thiophen-2-ylethylamino)purin-8-one Openeye Name: 7-[(4-fluorophenyl)methyl]-9-(3-methoxyphenyl)-2-[2-(2-thienyl)ethylamino]purin-8-one CAS Name: 7-[(4-fluorophenyl)methyl]-9-(3-methoxyphenyl)-2-(2-thiophen-2-ylethylamino)-8-purinone IUPAC Name: 7-[(4-fluorophenyl)methyl]-9-(3-methoxyphenyl)-2-(2-thiophen-2-ylethylamino)purin-8-one Traditional Name: 7-(4-fluorobenzyl)-9-(3-methoxyphenyl)-2-[2-(2-thienyl)ethylamino]purin-8-one Formula: C25H22FN5O2S MolecularWeight: 475.537883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)CC4=CC=C(C=C4)F)NCCC5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=NC(=NC=C3N(C2=O)CC4=CC=C(C=C4)F)NCCC5=CC=CS5

InChI

InChI=1S/C25H22FN5O2S/c1-33-20-5-2-4-19(14-20)31-23-22(30(25(31)32)16-17-7-9-18(26)10-8-17)15-28-24(29-23)27-12-11-21-6-3-13-34-21/h2-10,13-15H,11-12,16H2,1H3,(H,27,28,29)