5-(furan-2-yl)-2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(furan-2-yl)-2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H26N4O2S+2 MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

InChI

InChI=1S/C23H24N4O2S/c1-16-4-2-5-17(12-16)13-26-7-9-27(10-8-26)14-20-24-22(28)21-18(15-30-23(21)25-20)19-6-3-11-29-19/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,24,25,28)/p+2