8-phenethyl-2-piperazin-1-yl-6-thiophen-2-yl-pteridin-7-one

Systemtic Name: 8-phenethyl-2-piperazin-1-yl-6-thiophen-2-yl-pteridin-7-one Openeye Name: 8-phenethyl-2-piperazin-1-yl-6-(2-thienyl)pteridin-7-one CAS Name: 8-phenethyl-2-(1-piperazinyl)-6-thiophen-2-yl-7-pteridinone IUPAC Name: 8-phenethyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one Traditional Name: 8-phenethyl-2-piperazino-6-(2-thienyl)pteridin-7-one Formula: C22H22N6OS MolecularWeight: 418.51468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC5=CC=CC=C5

InChI

InChI=1S/C22H22N6OS/c29-21-19(18-7-4-14-30-18)25-17-15-24-22(27-12-9-23-10-13-27)26-20(17)28(21)11-8-16-5-2-1-3-6-16/h1-7,14-15,23H,8-13H2