6-ethyl-N2,N2-dimethyl-N4-(1,2-oxazol-3-ylmethyl)pyrimidin-3-ium-2,4-diamine

Systemtic Name: 6-ethyl-N2,N2-dimethyl-N4-(1,2-oxazol-3-ylmethyl)pyrimidin-3-ium-2,4-diamine Openeye Name: 6-ethyl-N4-(isoxazol-3-ylmethyl)-N2,N2-dimethyl-pyrimidin-3-ium-2,4-diamine CAS Name: 6-ethyl-N4-(3-isoxazolylmethyl)-N2,N2-dimethylpyrimidin-3-ium-2,4-diamine IUPAC Name: 6-ethyl-2-N,2-N-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidin-3-ium-2,4-diamine Traditional Name: [4-ethyl-6-(isoxazol-3-ylmethylamino)pyrimidin-1-ium-2-yl]-dimethyl-amine Formula: C12H18N5O+ MolecularWeight: 248.30422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=[NH+]C(=N1)N(C)C)NCC2=NOC=C2

Isomeric SMILES

CCC1=CC(=[NH+]C(=N1)N(C)C)NCC2=NOC=C2

InChI

InChI=1S/C12H17N5O/c1-4-9-7-11(15-12(14-9)17(2)3)13-8-10-5-6-18-16-10/h5-7H,4,8H2,1-3H3,(H,13,14,15)/p+1