6-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one

Systemtic Name: 6-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 6-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-8-(2-thienylmethyl)pteridin-7-one CAS Name: 6-(4-fluorophenyl)-2-(4-methyl-1-piperazinyl)-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 6-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 6-(4-fluorophenyl)-2-(4-methylpiperazino)-8-(2-thenyl)pteridin-7-one Formula: C22H21FN6OS MolecularWeight: 436.505143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)F)CC5=CC=CS5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)F)CC5=CC=CS5

InChI

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