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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C19H20N4O2S/c24-17(13-23-14-20-18-16(19(23)25)6-11-26-18)22-9-7-21(8-10-22)12-15-4-2-1-3-5-15/h1-6,11,14H,7-10,12-13H2/p+1