8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-pteridin-7-one

Systemtic Name: 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-pteridin-7-one Openeye Name: 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-(2-thienyl)pteridin-7-one CAS Name: 8-[(4-fluorophenyl)methyl]-2-(4-methyl-1-piperazinyl)-6-thiophen-2-yl-7-pteridinone IUPAC Name: 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpteridin-7-one Traditional Name: 8-(4-fluorobenzyl)-2-(4-methylpiperazino)-6-(2-thienyl)pteridin-7-one Formula: C22H21FN6OS MolecularWeight: 436.505143

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CC5=CC=C(C=C5)F

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C22H21FN6OS/c1-27-8-10-28(11-9-27)22-24-13-17-20(26-22)29(14-15-4-6-16(23)7-5-15)21(30)19(25-17)18-3-2-12-31-18/h2-7,12-13H,8-11,14H2,1H3