3-[6-oxidanylidene-6-(4-phenylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[6-oxidanylidene-6-(4-phenylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[6-oxo-6-(4-phenyl-1-piperazinyl)hexyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[6-keto-6-(4-phenylpiperazino)hexyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=C(C=CS4)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=C(C=CS4)NC3=S

InChI

InChI=1S/C22H26N4O2S2/c27-19(25-14-12-24(13-15-25)17-7-3-1-4-8-17)9-5-2-6-11-26-21(28)20-18(10-16-30-20)23-22(26)29/h1,3-4,7-8,10,16H,2,5-6,9,11-15H2,(H,23,29)