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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfonyl)-2-methyl-pyrimidin-4-amine Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfonyl)-2-methyl-pyrimidin-4-amine CAS Name: 5-(1,3-benzodioxol-5-ylmethylsulfonyl)-2-methyl-4-pyrimidinamine IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfonyl)-2-methylpyrimidin-4-amine Traditional Name: (2-methyl-5-piperonylsulfonyl-pyrimidin-4-yl)amine Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)S(=O)(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NC=C(C(=N1)N)S(=O)(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13N3O4S/c1-8-15-5-12(13(14)16-8)21(17,18)6-9-2-3-10-11(4-9)20-7-19-10/h2-5H,6-7H2,1H3,(H2,14,15,16)