2-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-(2-amino-6-chloro-4-pyrimidinyl)-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C14H24ClN6O+ MolecularWeight: 327.83296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=CC(=NC(=N2)N)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=CC(=NC(=N2)N)Cl

InChI

InChI=1S/C14H23ClN6O/c1-14(2,3)19-12(22)9-20-4-6-21(7-5-20)11-8-10(15)17-13(16)18-11/h8H,4-7,9H2,1-3H3,(H,19,22)(H2,16,17,18)/p+1