(5S)-5-methyl-5-(3-methylbutyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione

Systemtic Name: (5S)-5-methyl-5-(3-methylbutyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Openeye Name: (5S)-5-isopentyl-5-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione CAS Name: (5S)-5-methyl-5-(3-methylbutyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4-dione IUPAC Name: (5S)-5-methyl-5-(3-methylbutyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Traditional Name: (5S)-5-isoamyl-5-methyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]hydantoin Formula: C18H29N6O2+ MolecularWeight: 361.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC(C)CC[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H28N6O2/c1-14(2)5-6-18(3)15(25)24(17(26)21-18)13-22-9-11-23(12-10-22)16-19-7-4-8-20-16/h4,7-8,14H,5-6,9-13H2,1-3H3,(H,21,26)/p+1/t18-/m0/s1