N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(oxolan-2-yl)methanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(oxolan-2-yl)methanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-tetrahydrofuran-2-yl-methanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(ethylthio)-5-pyrimidinyl]methyl]-1-(2-oxolanyl)methanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(oxolan-2-yl)methanamine Traditional Name: [2-(ethylthio)pyrimidin-5-yl]methyl-piperonyl-(tetrahydrofurfuryl)amine Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)CN(CC2CCCO2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCSC1=NC=C(C=N1)CN(CC2CCCO2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N3O3S/c1-2-27-20-21-9-16(10-22-20)12-23(13-17-4-3-7-24-17)11-15-5-6-18-19(8-15)26-14-25-18/h5-6,8-10,17H,2-4,7,11-14H2,1H3