6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

Systemtic Name: 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 6-phenyl-2-piperazin-1-yl-8-(2-thienylmethyl)pteridin-7-one CAS Name: 6-phenyl-2-(1-piperazinyl)-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 6-phenyl-2-piperazino-8-(2-thenyl)pteridin-7-one Formula: C21H20N6OS MolecularWeight: 404.4881

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=CC=C4)CC5=CC=CS5

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6OS/c28-20-18(15-5-2-1-3-6-15)24-17-13-23-21(26-10-8-22-9-11-26)25-19(17)27(20)14-16-7-4-12-29-16/h1-7,12-13,22H,8-11,14H2