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

Systemtic Name: 2-[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-1-phenyl-pyrimidin-4-one Openeye Name: 2-[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanyl-6-amino-1-phenyl-pyrimidin-4-one CAS Name: 2-[[2-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-oxoethyl]thio]-6-amino-1-phenyl-4-pyrimidinone IUPAC Name: 2-[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-oxoethyl]sulfanyl-6-amino-1-phenylpyrimidin-4-one Traditional Name: 2-[[2-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-keto-ethyl]thio]-6-amino-1-phenyl-pyrimidin-4-one Formula: C26H34N5O2S+ MolecularWeight: 480.64546

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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(N5C6=CC=CC=C6)N

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NC(=O)C=C(N5C6=CC=CC=C6)N

InChI

InChI=1S/C26H33N5O2S/c27-22-13-23(32)28-25(31(22)21-4-2-1-3-5-21)34-17-24(33)29-6-8-30(9-7-29)26-14-18-10-19(15-26)12-20(11-18)16-26/h1-5,13,18-20H,6-12,14-17,27H2/p+1