6-[3,5-bis(fluoranyl)phenyl]-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

Systemtic Name: 6-[3,5-bis(fluoranyl)phenyl]-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 6-(3,5-difluorophenyl)-2-piperazin-1-yl-8-(2-thienylmethyl)pteridin-7-one CAS Name: 6-(3,5-difluorophenyl)-2-(1-piperazinyl)-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 6-(3,5-difluorophenyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 6-(3,5-difluorophenyl)-2-piperazino-8-(2-thenyl)pteridin-7-one Formula: C21H18F2N6OS MolecularWeight: 440.469026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)CC5=CC=CS5

InChI

InChI=1S/C21H18F2N6OS/c22-14-8-13(9-15(23)10-14)18-20(30)29(12-16-2-1-7-31-16)19-17(26-18)11-25-21(27-19)28-5-3-24-4-6-28/h1-2,7-11,24H,3-6,12H2