2-[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-1-prop-2-enyl-pyrimidin-4-one

Systemtic Name: 2-[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-1-prop-2-enyl-pyrimidin-4-one Openeye Name: 2-[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanyl-1-allyl-6-amino-pyrimidin-4-one CAS Name: 2-[[2-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-oxoethyl]thio]-6-amino-1-prop-2-enyl-4-pyrimidinone IUPAC Name: 2-[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-oxoethyl]sulfanyl-6-amino-1-prop-2-enylpyrimidin-4-one Traditional Name: 2-[[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-keto-ethyl]thio]-1-allyl-6-amino-pyrimidin-4-one Formula: C23H34N5O2S+ MolecularWeight: 444.61336

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CC(=O)N=C1SCC(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)N

Isomeric SMILES

C=CCN1C(=CC(=O)N=C1SCC(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)N

InChI

InChI=1S/C23H33N5O2S/c1-2-3-28-19(24)11-20(29)25-22(28)31-15-21(30)26-4-6-27(7-5-26)23-12-16-8-17(13-23)10-18(9-16)14-23/h2,11,16-18H,1,3-10,12-15,24H2/p+1