3-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H23N4O2S2+ MolecularWeight: 451.58432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CN3C=NC4=C(C3=O)C=C(S4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CN3C=NC4=C(C3=O)C=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4O2S2/c28-21(26-9-7-25(8-10-26)13-17-6-11-30-15-17)14-27-16-24-22-19(23(27)29)12-20(31-22)18-4-2-1-3-5-18/h1-6,11-12,15-16H,7-10,13-14H2/p+1