2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-6-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-6-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-6-isopropyl-1H-pyrimidin-4-one CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]thio]-6-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-6-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-6-isopropyl-1H-pyrimidin-4-one Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2S/c1-15(2)17-12-18(25)22-20(21-17)27-14-19(26)24-10-8-23(9-11-24)13-16-6-4-3-5-7-16/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,21,22,25)/p+1