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

Systemtic Name: 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C23H23N4O2S+ MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CN4C=NC5=C(C4=O)C=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CN4C=NC5=C(C4=O)C=CS5

InChI

InChI=1S/C23H22N4O2S/c28-21(15-27-16-24-22-20(23(27)29)8-13-30-22)26-11-9-25(10-12-26)14-18-6-3-5-17-4-1-2-7-19(17)18/h1-8,13,16H,9-12,14-15H2/p+1