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

Systemtic Name: 3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[4-keto-4-(4-phenylpiperazino)butyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=S

InChI

InChI=1S/C20H22N4O2S2/c25-17(23-12-10-22(11-13-23)15-5-2-1-3-6-15)7-4-9-24-19(26)18-16(8-14-28-18)21-20(24)27/h1-3,5-6,8,14H,4,7,9-13H2,(H,21,27)