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

Systemtic Name: 2-[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanyl-6-amino-1H-pyrimidin-4-one CAS Name: 2-[[2-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-oxoethyl]thio]-6-amino-1H-pyrimidin-4-one IUPAC Name: 2-[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-oxoethyl]sulfanyl-6-amino-1H-pyrimidin-4-one Traditional Name: 2-[[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-keto-ethyl]thio]-6-amino-1H-pyrimidin-4-one Formula: C20H30N5O2S+ MolecularWeight: 404.5495

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NC(=O)C=C(N5)N

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NC(=O)C=C(N5)N

InChI

InChI=1S/C20H29N5O2S/c21-16-8-17(26)23-19(22-16)28-12-18(27)24-1-3-25(4-2-24)20-9-13-5-14(10-20)7-15(6-13)11-20/h8,13-15H,1-7,9-12H2,(H3,21,22,23,26)/p+1