N-(1,3-benzodioxol-5-ylmethyl)-3-pyrimidin-2-ylsulfanyl-propan-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-pyrimidin-2-ylsulfanyl-propan-1-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-pyrimidin-2-ylsulfanyl-propan-1-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-pyrimidinylthio)-1-propanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-pyrimidin-2-ylsulfanylpropan-1-amine Traditional Name: piperonyl-[3-(2-pyrimidylthio)propyl]amine Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCCSC3=NC=CC=N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCCSC3=NC=CC=N3

InChI

InChI=1S/C15H17N3O2S/c1-6-17-15(18-7-1)21-8-2-5-16-10-12-3-4-13-14(9-12)20-11-19-13/h1,3-4,6-7,9,16H,2,5,8,10-11H2