N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propan-1-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-propanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl-piperonyl-amine Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCNCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCNCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H21N3O2S/c1-12-8-13(2)20-17(19-12)23-7-3-6-18-10-14-4-5-15-16(9-14)22-11-21-15/h4-5,8-9,18H,3,6-7,10-11H2,1-2H3