5-(1,3-benzodioxol-5-yl)-4-methyl-pyrimidin-2-amine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-methyl-pyrimidin-2-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-methyl-pyrimidin-2-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrimidinamine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-methylpyrimidin-2-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)-4-methyl-pyrimidin-2-yl]amine Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CC1=NC(=NC=C1C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C12H11N3O2/c1-7-9(5-14-12(13)15-7)8-2-3-10-11(4-8)17-6-16-10/h2-5H,6H2,1H3,(H2,13,14,15)