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

Systemtic Name: 3-butyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-butyl-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-butyl-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]thieno[3,2-d]pyrimidin-4-one Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S2/c1-2-3-10-26-21(28)20-18(9-15-29-20)23-22(26)30-16-19(27)25-13-11-24(12-14-25)17-7-5-4-6-8-17/h4-9,15H,2-3,10-14,16H2,1H3