6-(4-chlorophenyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

Systemtic Name: 6-(4-chlorophenyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 6-(4-chlorophenyl)-2-piperazin-1-yl-8-(2-thienylmethyl)pteridin-7-one CAS Name: 6-(4-chlorophenyl)-2-(1-piperazinyl)-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 6-(4-chlorophenyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 6-(4-chlorophenyl)-2-piperazino-8-(2-thenyl)pteridin-7-one Formula: C21H19ClN6OS MolecularWeight: 438.93316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN6OS/c22-15-5-3-14(4-6-15)18-20(29)28(13-16-2-1-11-30-16)19-17(25-18)12-24-21(26-19)27-9-7-23-8-10-27/h1-6,11-12,23H,7-10,13H2