3-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[4-(2-phenoxyethyl)piperazino]ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C20H22N4O3S/c25-18(14-24-15-21-19-17(20(24)26)6-13-28-19)23-9-7-22(8-10-23)11-12-27-16-4-2-1-3-5-16/h1-6,13,15H,7-12,14H2