5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-1-ium-2,4-diamine

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-1-ium-2,4-diamine Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-1-ium-2,4-diamine CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-1-ium-2,4-diamine IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-1-ium-2,4-diamine Traditional Name: [2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-1-ium-4-yl]amine Formula: C13H15N4O2+ MolecularWeight: 259.2838

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CC3=C[NH+]=C(N=C3N)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CC3=C[NH+]=C(N=C3N)N

InChI

InChI=1S/C13H14N4O2/c14-12-9(7-16-13(15)17-12)5-8-1-2-10-11(6-8)19-4-3-18-10/h1-2,6-7H,3-5H2,(H4,14,15,16,17)/p+1