6-azanyl-1,3-dimethyl-5-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[(2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanoyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[(2S)-1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[(2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanoyl]pyrimidine-2,4-quinone Formula: C18H25N6O3+ MolecularWeight: 373.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C18H24N6O3/c1-12(15(25)14-16(19)21(2)18(27)22(3)17(14)26)23-8-10-24(11-9-23)13-6-4-5-7-20-13/h4-7,12H,8-11,19H2,1-3H3/p+1/t12-/m0/s1