N2,5-dimethyl-N2-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-1-ium-2,4-diamine

Systemtic Name: N2,5-dimethyl-N2-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-1-ium-2,4-diamine Openeye Name: N2,5-dimethyl-N2-[[3-(4-pyridyl)isoxazol-5-yl]methyl]pyrimidin-1-ium-2,4-diamine CAS Name: N2,5-dimethyl-N2-[(3-pyridin-4-yl-5-isoxazolyl)methyl]pyrimidin-1-ium-2,4-diamine IUPAC Name: 2-N,5-dimethyl-2-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-1-ium-2,4-diamine Traditional Name: (4-amino-5-methyl-pyrimidin-1-ium-2-yl)-methyl-[[3-(4-pyridyl)isoxazol-5-yl]methyl]amine Formula: C15H17N6O+ MolecularWeight: 297.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N=C1N)N(C)CC2=CC(=NO2)C3=CC=NC=C3

Isomeric SMILES

CC1=C[NH+]=C(N=C1N)N(C)CC2=CC(=NO2)C3=CC=NC=C3

InChI

InChI=1S/C15H16N6O/c1-10-8-18-15(19-14(10)16)21(2)9-12-7-13(20-22-12)11-3-5-17-6-4-11/h3-8H,9H2,1-2H3,(H2,16,18,19)/p+1