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

Systemtic Name: 3-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]thieno[2,3-d]pyrimidin-4-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C20H22N4O2S/c25-18(6-8-24-15-21-19-17(20(24)26)7-13-27-19)23-11-9-22(10-12-23)14-16-4-2-1-3-5-16/h1-5,7,13,15H,6,8-12,14H2/p+1