1-(1-adamantyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-(1-adamantyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-(1-adamantyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione CAS Name: 1-(1-adamantyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-(1-adamantyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Traditional Name: 1-(1-adamantyl)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C22H29N6O3+ MolecularWeight: 425.50406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)C34CC5CC(C3)CC(C5)C4)C6=NC=CC=N6

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)C34CC5CC(C3)CC(C5)C4)C6=NC=CC=N6

InChI

InChI=1S/C22H28N6O3/c29-18-19(30)28(22-11-15-8-16(12-22)10-17(9-15)13-22)21(31)27(18)14-25-4-6-26(7-5-25)20-23-2-1-3-24-20/h1-3,15-17H,4-14H2/p+1