5-(furan-2-yl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(furan-2-yl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H21N4O2S+ MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2)C5=CC=CC=C5

InChI

InChI=1S/C21H20N4O2S/c26-20-19-16(17-7-4-12-27-17)14-28-21(19)23-18(22-20)13-24-8-10-25(11-9-24)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,22,23,26)/p+1