5-(1,3-benzodioxol-5-ylmethylsulfonyl)-N2-butyl-pyrimidine-2,4-diamine

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylsulfonyl)-N2-butyl-pyrimidine-2,4-diamine Openeye Name: 5-(1,3-benzodioxol-5-ylmethylsulfonyl)-N2-butyl-pyrimidine-2,4-diamine CAS Name: 5-(1,3-benzodioxol-5-ylmethylsulfonyl)-N2-butylpyrimidine-2,4-diamine IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylsulfonyl)-2-N-butylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-piperonylsulfonyl-pyrimidin-2-yl)-butyl-amine Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=C(C(=N1)N)S(=O)(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCNC1=NC=C(C(=N1)N)S(=O)(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N4O4S/c1-2-3-6-18-16-19-8-14(15(17)20-16)25(21,22)9-11-4-5-12-13(7-11)24-10-23-12/h4-5,7-8H,2-3,6,9-10H2,1H3,(H3,17,18,19,20)